diff --git a/.github/workflows/CI-intel-python.yml b/.github/workflows/CI-intel-python.yml new file mode 100644 index 000000000..3e442622f --- /dev/null +++ b/.github/workflows/CI-intel-python.yml @@ -0,0 +1,416 @@ +name: CI-Win-Intel-Python + +on: [push] + +# if there is a version tag, build release and push. +# From now (Jul 21) use semantic version number e.g. v15.2.103 (major.minor.patch) +# The old system has a hardcoded version (e.g. 15.1) and a build number instead of a patch. +# The build number was the number of commits on current branch. Instead, let's store +# the end of the git commit hash as a unique id to identify this build. + + +env: + WINDOWS_BASEKIT_URL: https://registrationcenter-download.intel.com/akdlm/irc_nas/17768/w_BaseKit_p_2021.2.0.2871_offline.exe + WINDOWS_HPCKIT_URL: https://registrationcenter-download.intel.com/akdlm/irc_nas/17762/w_HPCKit_p_2021.2.0.2901_offline.exe + WINDOWS_MKL_COMPONENTS: intel.oneapi.win.mkl.devel + WINDOWS_FORTRAN_COMPONENTS: intel.oneapi.win.ifort-compiler + + +jobs: + +# # Delete the following if you don't want to save install logs +# - name: Saving install logs +# if: steps.cache-install.outputs.cache-hit != 'true' +# uses: actions/upload-artifact@v2 +# with: +# name: InstallLogs_${{ github.job }} +# path: | +# extract.log +# bootstrapper* +# installer* +# retention-days: 7 + + +# # Delete the following if you don't want to save install logs +# - name: Saving install logs +# if: steps.cache-install.outputs.cache-hit != 'true' +# uses: actions/upload-artifact@v2 +# with: +# name: InstallLogs_${{ github.job }} +# path: | +# extract.log +# bootstrapper* +# installer* +# retention-days: 7 + + build: + runs-on: windows-latest + + env: + testfail: false + + + strategy: + fail-fast: false + matrix: + cl: [gui, nogui] + release: [debug, release] + include: +# Setup some GUI/NOGUI specific variables + - cl: gui + guiflag: yes + testsuffix: GUI + removeguitst: + wxoptions: -DwxWidgets_ROOT_DIR=..\wx -DwxWidgets_LIB_DIR=..\wx\lib\vc14x_x64_dll -DwxWidgets_CONFIGURATION=mswu + - cl: nogui + guiflag: no + testsuffix: + removeguitst: del gui.tst + wxoptions: + - release: debug + testoption: -s + - release: release + testoption: + + steps: + + - name: Checkout crystals + uses: actions/checkout@v2 + +# - name: Add msbuild to PATH +# uses: microsoft/setup-msbuild@v1.0.2 + + - name: cache install mkl + id: cache-install-mkl + uses: actions/cache@v2 + with: + path: C:\Program Files (x86)\Intel\oneAPI\mkl + key: install-${{ env.WINDOWS_BASEKIT_URL }}-${{ env.WINDOWS_MKL_COMPONENTS }}-mkl-${{ hashFiles('**/bin/cache_exclude_windows.sh') }} + + - name: install mkl + shell: bash + if: steps.cache-install-mkl.outputs.cache-hit != 'true' + run: bin/install_windows.bat $WINDOWS_BASEKIT_URL $WINDOWS_MKL_COMPONENTS + + - name: exclude unused files from cache intelmkl + if: steps.cache-install-mkl.outputs.cache-hit != 'true' + shell: bash + run: bin/cache_exclude_windows.sh + + - name: cache install ifort + id: cache-install + uses: actions/cache@v2 + with: + path: C:\Program Files (x86)\Intel\oneAPI\compiler + key: install-${{ env.WINDOWS_HPCKIT_URL }}-${{ env.WINDOWS_FORTRAN_COMPONENTS }}-compiler-${{ hashFiles('**/bin/cache_exclude_windows.sh') }} + + - name: install ifort + shell: bash + if: steps.cache-install.outputs.cache-hit != 'true' + run: bin/install_windows.bat $WINDOWS_HPCKIT_URL $WINDOWS_FORTRAN_COMPONENTS + + - name: exclude unused files from cache ifort + if: steps.cache-install.outputs.cache-hit != 'true' + shell: bash + run: bin/cache_exclude_windows.sh + +# Install wxWidgets - win GUI only + + - name: cache install wx + id: cache-wxlibs # give it a name for checking the cache hit-or-not + uses: actions/cache@v2 + with: + path: ./wx # what we cache: the folder + key: ${{ runner.os }}-wxlibs314 + restore-keys: | + ${{ runner.os }}-wxlibs314 + if: matrix.cl == 'gui' + + - name: Download wxWidgets for Win64 gui + if: ${{ steps.cache-wxlibs.outputs.cache-hit != 'true' && matrix.cl == 'gui' }} + shell: cmd + run: | + curl -LsS https://github.com/wxWidgets/wxWidgets/releases/download/v3.1.4/wxMSW-3.1.4_vc14x_x64_Dev.7z > dev.7z + curl -LsS https://github.com/wxWidgets/wxWidgets/releases/download/v3.1.4/wxWidgets-3.1.4-headers.7z > head.7z + curl -LsS https://github.com/wxWidgets/wxWidgets/releases/download/v3.1.4/wxMSW-3.1.4_vc14x_x64_ReleaseDLL.7z > rel.7Z + 7z x dev.7z -owx -y + 7z x head.7z -owx -y + 7z x rel.7z -owx -y + dir +# + - name: Create build and install folder + run: | + mkdir ci + mkdir installer + + - id: get_version + uses: battila7/get-version-action@v2 + +# - run: echo ${{ steps.get_version.outputs.version }} +# - run: echo ${{ steps.get_version.outputs.version-without-v }} +# - run: echo ${{ steps.get_version.outputs.major }} +# - run: echo ${{ steps.get_version.outputs.minor }} +# - run: echo ${{ steps.get_version.outputs.patch }} + + - name: Get short SHA of commit + id: vars + run: echo "::set-output name=sha_short::$(git rev-parse --short HEAD)" + + - name: Check outputs + run: echo ${{ steps.vars.outputs.sha_short }} + + - name: Build custom mkl library + working-directory: ci + shell: cmd + run: | + for /f "tokens=* usebackq" %%f in (`dir /b "C:\Program Files (x86)\Intel\oneAPI\compiler\" ^| findstr /V latest ^| sort`) do @set "LATEST_VERSION=%%f" + xcopy /I/E/Y "C:\Program Files (x86)\Intel\oneAPI\mkl\%LATEST_VERSION%\tools\builder" builder + call "C:\Program Files (x86)\Intel\oneAPI\compiler\%LATEST_VERSION%\env\vars.bat" + call "C:\Program Files (x86)\Intel\oneAPI\mkl\%LATEST_VERSION%\env\vars.bat" + set FC=ifort + pushd builder + nmake libintel64 export="..\..\build\mkllibs.txt" + popd + copy ".\builder\mkl_custom.dll" . + copy ".\builder\mkl_custom.lib" . + +# Build WIN64 +# + - uses: ilammy/msvc-dev-cmd@v1 + + - name: Build CRYSTALS intel64 + working-directory: ci + shell: cmd + run: | + for /f "tokens=* usebackq" %%f in (`dir /b "C:\Program Files (x86)\Intel\oneAPI\compiler\" ^| findstr /V latest ^| sort`) do @set "LATEST_VERSION=%%f" + call "C:\Program Files (x86)\Intel\oneAPI\compiler\%LATEST_VERSION%\env\vars.bat" + set FC=ifort + set CRYSVNVER=${{ steps.vars.outputs.sha_short }} + set CRYVMAJOR=${{ steps.get_version.outputs.major }} + set CRYVMINOR=${{ steps.get_version.outputs.minor }} + set CRYVPATCH=${{ steps.get_version.outputs.patch }} + echo Commit SHA: %CRYSVNVER% Version: %CRYVMAJOR%.%CRYVMINOR%.%CRYVPATCH% + cmake .. -G"NMake Makefiles" -DuseGUI=${{ matrix.guiflag }} -DCMAKE_SH="CMAKE_SH-NOTFOUND" ${{ matrix.wxoptions }} -DCMAKE_BUILD_TYPE=${{ matrix.release }} -DuseCustomMKL=yes -DusePY=yes + nmake || exit /b %ERRORLEVEL% + copy ..\wx\lib\vc14x_x64_dll\wxmsw314u_stc_vc14x_x64.dll . + copy ..\wx\lib\vc14x_x64_dll\wxmsw314u_core_vc14x_x64.dll . + copy ..\wx\lib\vc14x_x64_dll\wxmsw314u_gl_vc14x_x64.dll . + copy ..\wx\lib\vc14x_x64_dll\wxbase314u_vc14x_x64.dll . + SET COMMAND=where libifcoremd.dll + FOR /F "delims=" %%A IN ('%COMMAND%') DO ( + SET TEMPVAR=%%A + GOTO :copy1 + ) + :copy1 + ECHO %TEMPVAR% + copy "%tempvar%" + SET COMMAND=where libifportMD.dll + FOR /F "delims=" %%A IN ('%COMMAND%') DO ( + SET TEMPVAR=%%A + GOTO :copy2 + ) + :copy2 + ECHO %TEMPVAR% + copy "%tempvar%" + SET COMMAND=where libiomp5md.dll + FOR /F "delims=" %%A IN ('%COMMAND%') DO ( + SET TEMPVAR=%%A + GOTO :copy3 + ) + :copy3 + ECHO %TEMPVAR% + copy "%tempvar%" + SET COMMAND=where libmmd.dll + FOR /F "delims=" %%A IN ('%COMMAND%') DO ( + SET TEMPVAR=%%A + GOTO :copy5 + ) + :copy5 + ECHO %TEMPVAR% + copy "%tempvar%" + SET COMMAND=where svml_dispmd.dll + FOR /F "delims=" %%A IN ('%COMMAND%') DO ( + SET TEMPVAR=%%A + GOTO :copy6 + ) + :copy6 + ECHO %TEMPVAR% + copy "%tempvar%" + SET COMMAND=where msvcp140.dll + FOR /F "delims=" %%A IN ('%COMMAND%') DO ( + SET TEMPVAR=%%A + GOTO :copy7 + ) + :copy7 + ECHO %TEMPVAR% + copy "%tempvar%" + SET COMMAND=where vcruntime140.dll + FOR /F "delims=" %%A IN ('%COMMAND%') DO ( + SET TEMPVAR=%%A + GOTO :copy8 + ) + :copy8 + ECHO %TEMPVAR% + copy "%tempvar%" + SET COMMAND=where vcruntime140_1.dll + FOR /F "delims=" %%A IN ('%COMMAND%') DO ( + SET TEMPVAR=%%A + GOTO :copy9 + ) + :copy9 + ECHO %TEMPVAR% + copy "%tempvar%" + + + +# Tests + - uses: ilammy/msvc-dev-cmd@v1 + + - name: Test CRYSTALS windows + working-directory: test_suite + shell: cmd +# Prevent interactive scripts from running +# Prevent gui test from running for this cl version +# Setup environment +# Compcode sets folder with reference test outputs +# Go + run: | + set CRYSDIR=.\,..\ci\ + set COMPCODE=INW64GH${{ matrix.testsuffix }} + set OMP_NUM_THREADS=1 + set PATH=..\wx\lib\vc14x_x64_dll;%path% + for /f "tokens=* usebackq" %%f in (`dir /b "C:\Program Files (x86)\Intel\oneAPI\compiler\" ^| findstr /V latest ^| sort`) do @set "LATEST_VERSION=%%f" + call "C:\Program Files (x86)\Intel\oneAPI\compiler\%LATEST_VERSION%\env\vars.bat" + call "C:\Program Files (x86)\Intel\oneAPI\mkl\%LATEST_VERSION%\env\vars.bat" + echo PATH is %PATH% + echo CRYSDIR is %CRYSDIR% + ren INW64GH${{ matrix.testsuffix }}.org safe.dir + for /d %%G in ("*.org") do rd /s /q "%%~G" + ren safe.dir INW64GH${{ matrix.testsuffix }}.org + ${{ matrix.removeguitst }} + mkdir script + echo "%SCRIPT NONE" > script\\tipauto.scp + echo "%END SCRIPT" >> script\\tipauto.scp + echo "%SCRIPT NONE" > script\\guideauto.scp + echo "%END SCRIPT" >> script\\guideauto.scp + perl ../editor/filepp.pl -ds -w -o diffin.tst -DTESTWIN diffin.tss + perl ../editor/filepp.pl -ds -w -o diffin2.tst -DTESTWIN diffin2.tss + perl ../editor/filepp.pl -ds -w -o diffin3.tst -DTESTWIN diffin3.tss + perl ../editor/filepp.pl -ds -w -o shelx2cry.tst -DTESTWIN shelx2cry.tss + perl testsuite.pl ${{ matrix.testoption }} -l + + +# If failures, trigger next two stages (one to tidy, one to upload) + - name: Tidy failed test outputs win64 + working-directory: test_suite + if: failure() + shell: cmd + run: | + dir + echo "testfail=true" >> $GITHUB_ENV + del /q INW64GH${{ matrix.testsuffix }}.org + copy *.out INW64GH${{ matrix.testsuffix }}.org + del /q *.* + + - name: Upload outputs if failures + uses: actions/upload-artifact@v1 + if: failure() + with: + name: test-outputs-win64-${{ matrix.cl }} + path: test_suite + +# Could be useful for debugging +# - name: Upload exe folder if failures +# uses: actions/upload-artifact@v1 +# if: failure() +# with: +# name: executable-outputs-win64-${{ matrix.cl }} +# path: ci + + + - name: Build installer + if: ${{ matrix.cl == 'gui' }} + working-directory: installer + shell: cmd + run: | + set CRYSVNVER=${{ steps.vars.outputs.sha_short }} + set CRYSEMVER=${{ steps.get_version.outputs.major }}.${{ steps.get_version.outputs.minor }}.${{ steps.get_version.outputs.patch }} + set CRYPY=TRUE + echo Commit SHA: %CRYSVNVER% Version: %CRYSEMVER% + IF "%CRYSVNVER%"=="" (SET CRYSVNVER=0000) + IF "%CRYSEMVER%"=="" (SET CRYSEMVER=10.1.100) + "C:\Program Files (x86)\Inno Setup 6\iscc.exe" "../bin/crystals-gh.iss" + ren crystals-setup.exe crystals-${{steps.get_version.outputs.version}}-${{steps.vars.outputs.sha_short}}-${{matrix.release}}-python-setup.exe + + - uses: ChemCryst/code-sign-action@2cf2f6795b8a52517aeb27d1c570614edb6a6018 + with: + certificate: '${{ secrets.CERTIFICATE }}' + password: '${{ secrets.PASSWORD }}' + certificatesha1: '${{ secrets.CERTHASH }}' + certificatename: '${{ secrets.CERTNAME }}' + folder: 'installer' + recursive: false + + + - name: Upload installer + uses: actions/upload-artifact@v1 + with: + name: crystals-setup + path: ./installer/crystals-${{steps.get_version.outputs.version}}-${{steps.vars.outputs.sha_short}}-${{matrix.release}}-python-setup.exe + if: ${{ matrix.cl == 'gui' }} + + - name: Create Release + if: ${{ matrix.cl == 'gui' && matrix.release == 'release' && startsWith(github.ref, 'refs/tags/') }} + id: create_release + uses: actions/create-release@v1.0.0 + env: + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + with: + tag_name: Tag-${{ github.ref }} + release_name: Release ${{ github.ref }} + draft: false + prerelease: false + + - name: Store Release url + if: ${{ matrix.cl == 'gui' && matrix.release == 'release' && startsWith(github.ref, 'refs/tags/') }} + run: | + echo "${{ steps.create_release.outputs.upload_url }}" > ./upload_url + + - uses: actions/upload-artifact@v1 + with: + path: ./upload_url + name: upload_url + if: ${{ matrix.cl == 'gui' && matrix.release == 'release' && startsWith(github.ref, 'refs/tags/') }} + + #upload assets to release + - name: Download URL + if: ${{ matrix.cl == 'gui' && matrix.release == 'release' && startsWith(github.ref, 'refs/tags/') }} + uses: actions/download-artifact@v1 + with: + name: upload_url + path: ./ + + - id: set_upload_url + if: ${{ matrix.cl == 'gui' && matrix.release == 'release' && startsWith(github.ref, 'refs/tags/')}} + run: echo "::set-output name=upload_url::$(cat ./upload_url)" + +# - name: Upload to Release + #uses: actions/upload-release-asset@v1.0.1 + #env: + #GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + #with: + #upload_url: ${{ steps.set_upload_url.outputs.upload_url }} + #asset_path: ./installer/crystals-setup.exe + #asset_name: crystals-v${{ env.VERSION }}-win64.exe + #asset_content_type: application/x-executable + #if: ${{ matrix.cl == 'gui' && matrix.release == 'release' }} + + # if: startsWith(github.ref, 'refs/tags/') + - name: Upload to Release + uses: softprops/action-gh-release@v1 + if: ${{ matrix.cl == 'gui' && matrix.release == 'release' && startsWith(github.ref, 'refs/tags/') }} + with: + files: | + ./installer/crystals-*-${{matrix.release}}-python-setup.exe + env: + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} diff --git a/.github/workflows/CI-intel.yml b/.github/workflows/CI-intel.yml index e63bde5cf..df0e17816 100644 --- a/.github/workflows/CI-intel.yml +++ b/.github/workflows/CI-intel.yml @@ -190,8 +190,8 @@ jobs: set CRYVMINOR=${{ steps.get_version.outputs.minor }} set CRYVPATCH=${{ steps.get_version.outputs.patch }} echo Commit SHA: %CRYSVNVER% Version: %CRYVMAJOR%.%CRYVMINOR%.%CRYVPATCH% - cmake .. -G"NMake Makefiles" -DuseGUI=${{ matrix.guiflag }} -DCMAKE_SH="CMAKE_SH-NOTFOUND" ${{ matrix.wxoptions }} -DCMAKE_BUILD_TYPE=${{ matrix.release }} -DuseCustomMKL=yes - nmake + cmake .. -G"NMake Makefiles" -DuseGUI=${{ matrix.guiflag }} -DCMAKE_SH="CMAKE_SH-NOTFOUND" ${{ matrix.wxoptions }} -DCMAKE_BUILD_TYPE=${{ matrix.release }} -DuseCustomMKL=yes -DusePY=no -DCMAKE_EXPORT_COMPILE_COMMANDS=on + nmake || exit /b %ERRORLEVEL% copy ..\wx\lib\vc14x_x64_dll\wxmsw314u_stc_vc14x_x64.dll . copy ..\wx\lib\vc14x_x64_dll\wxmsw314u_core_vc14x_x64.dll . copy ..\wx\lib\vc14x_x64_dll\wxmsw314u_gl_vc14x_x64.dll . @@ -327,6 +327,14 @@ jobs: # name: executable-outputs-win64-${{ matrix.cl }} # path: ci +# Could be useful for debugging + - name: Upload compile_commands + uses: actions/upload-artifact@v1 + with: + name: commands-win64-${{ matrix.cl }}-${{ matrix.release }} + path: ci/compile_commands.json + + - name: Build installer if: ${{ matrix.cl == 'gui' }} diff --git a/.github/workflows/ci-linux.yml b/.github/workflows/ci-linux.yml index 92893cc68..d6b1fa7e0 100644 --- a/.github/workflows/ci-linux.yml +++ b/.github/workflows/ci-linux.yml @@ -17,6 +17,7 @@ jobs: matrix: cl: [gui, nogui] release: [debug, release] + withpython: [yes, no] include: # Setup some GUI/NOGUI specific variables - cl: gui @@ -61,8 +62,9 @@ jobs: - name: Build CRYSTALS linux working-directory: ci run: | - cmake -DuseGUI=${{ matrix.guiflag }} -DuseOPENMP=no -DCMAKE_BUILD_TYPE=${{ matrix.release }} .. + cmake -DCMAKE_EXPORT_COMPILE_COMMANDS=on -DuseGUI=${{ matrix.guiflag }} -DuseOPENMP=no -DusePY=${{ matrix.withpython }} -DCMAKE_BUILD_TYPE=${{ matrix.release }} .. make -j2 + cat compile_commands.json # - name: Test CRYSTALS linux diff --git a/.gitignore b/.gitignore index 22427ef71..f6cef71c0 100644 --- a/.gitignore +++ b/.gitignore @@ -58,12 +58,17 @@ script/old-bak-files #common build folders b/ +c/ +e/ d/ g/ i/ c/ n/ p/ +t/ +pi/ +pp/ cl/ nm/ o/ diff --git a/CMakeLists.txt b/CMakeLists.txt index c3278813a..662805642 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -2,18 +2,23 @@ #gfortran (e.g. v4.2.3). If you have other gcc installed, make sure you #set CC=/usr/bin/gcc and CXX=/usr/bin/g++ before running cmake. -CMAKE_MINIMUM_REQUIRED(VERSION 2.8) +CMAKE_MINIMUM_REQUIRED(VERSION 3.0) -PROJECT(Crystals) +PROJECT(Crystals LANGUAGES CXX C Fortran) SET(CMAKE_VERBOSE_MAKEFILE OFF) SET(CMAKE_COLOR_MAKEFILE ON) +# # +# # +# SETTINGS # +# # +# # + option (verbose "verbose" OFF) -option (useMULTIDEF_WORKAROUND "useMULTIDEF_WORKAROUND" OFF) #temporary while multiply defined symbols exist in MinGW64 libs. option (useGUI "useGUI" ON) option (useCustomMKL "useCustomMKL" OFF) -option (usePY "usePY" OFF) +option (usePY "usePY" ON) option (use32 "use32" OFF) option (useSTATIC "useSTATIC" OFF) option (useOPENMP "useOPENMP" ON) @@ -22,7 +27,6 @@ option (compileHDF5 "compileHDF5" OFF) # hdf5 storage, download and compile hdf5 option (useGGDB3 "useGGDB3" OFF) # used for orion (old dgb) option (usepFUnit "usepFUnit" OFF) option (useFAST "useFAST" OFF) - option (withSUPERFLIP "withSUPERFLIP" OFF) option (withEDMA "withEDMA" OFF) @@ -30,9 +34,52 @@ if(verbose) SET(CMAKE_VERBOSE_MAKEFILE ON) endif () +# # +# # +# FIND OUT ABOUT ENVIRONMENT # +# # +# # + +# FFLAGS depend on the compiler +GET_FILENAME_COMPONENT (Fortran_COMPILER_NAME "${CMAKE_Fortran_COMPILER}" NAME) +if ((Fortran_COMPILER_NAME MATCHES "ifort") OR (Fortran_COMPILER_NAME MATCHES "ifort.exe")) # ifort (untested) + message(WARNING "Using Intel Fortran compiler.") + SET (IFORT_COMPILER 1) +endif() + + + +# fake library to propogate common compiler defines to both Fortran and C++ compiler +# CrystalsDefines is stuff for crystals and crystalscl executables and scripts +# GeneralDefines is stuff for everything +add_library(CrystalsDefines INTERFACE) +add_library(GeneralDefines INTERFACE) +target_link_libraries(CrystalsDefines INTERFACE GeneralDefines) + +#target_compile_definitions(CrystalsDefines INTERFACE MY_NEEDED_DEFINITION) +if ( WIN32 ) + target_compile_definitions(GeneralDefines INTERFACE CRY_OSWIN32) + target_compile_definitions(CrystalsDefines INTERFACE CRY_OSWIN32) + message( STATUS "------------------------- Defined OSWIN32 ------------------------") + if ( IFORT_COMPILER ) + target_compile_definitions(GeneralDefines INTERFACE __INW__) + else () + target_compile_definitions(GeneralDefines INTERFACE __MIN__) + endif() +endif() + +if ( ${CMAKE_SYSTEM_NAME} STREQUAL "Linux" ) + target_compile_definitions(GeneralDefines INTERFACE CRY_OSLINUX) + target_compile_definitions(CrystalsDefines INTERFACE CRY_OSLINUX) +endif() + +if ( APPLE ) + target_compile_definitions(CrystalsDefines INTERFACE CRY_OSMAC) +endif() + + SET( Fortran_MODULE_DIRECTORY "${CMAKE_BINARY_DIR}/FortranModules" ) message(STATUS "Modules saved at [${CMAKE_BINARY_DIR}/FortranModules]") -INCLUDE_DIRECTORIES(${Fortran_MODULE_DIRECTORY}) file(MAKE_DIRECTORY "${CMAKE_BINARY_DIR}/FortranModules") if(useSTATIC) @@ -46,9 +93,7 @@ endif () ENABLE_LANGUAGE(Fortran) INCLUDE (CPack) -IF (${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION} GREATER 3.0) include(CheckFortranCompilerFlag) -Endif() if (${CMAKE_SYSTEM_NAME} MATCHES "MINGW64_NT" OR ${CMAKE_SYSTEM_NAME} MATCHES "MINGW32_NT") message(STATUS "Building using MSYS2, Mingw64 toolchain") @@ -94,12 +139,6 @@ if(CMAKE_COMPILER_IS_GNUCC) endif () endif () -# FFLAGS depend on the compiler -GET_FILENAME_COMPONENT (Fortran_COMPILER_NAME "${CMAKE_Fortran_COMPILER}" NAME) -if ((Fortran_COMPILER_NAME MATCHES "ifort") OR (Fortran_COMPILER_NAME MATCHES "ifort.exe")) # ifort (untested) - message(WARNING "Using Intel Fortran compiler.") - SET (IFORT_COMPILER 1) -endif() FIND_PACKAGE ( Perl REQUIRED) @@ -107,7 +146,9 @@ IF ( PERL_FOUND ) MESSAGE ( STATUS "Perl executable: [${PERL_EXECUTABLE}]") ENDIF ( PERL_FOUND ) -IF (${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION} GREATER 3.5) + +IF (${CMAKE_VERSION} VERSION_GREATER "3.5.0") + if ( useCustomMKL ) @@ -146,6 +187,8 @@ IF (${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION} GREATER 3.5) endif () endif () else () + # Cmake versions < 3.5 + if ( useCustomMKL ) message(STATUS "Using Custom MKL library: ./mkl_custom.lib") @@ -210,6 +253,7 @@ if(useOPENMP) endif() endif () + if ( use32 ) message(STATUS "Building 32bit") SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -m32") @@ -224,55 +268,25 @@ endif () if ( useGUI ) message(STATUS "Building gui") - add_definitions(-DCRY_GUI) - add_definitions(-DCRY_USEWX) if ( WIN32 ) -# SET(MINGW 1) -# SET(WX_ROOT_DIR "${wxWidgets_ROOT_DIR}") -# SET(wxWidgets_LIB_DIR "c:/wx3/lib/gcc_dll") -# set(wxWidgets_CONFIGURATION mswu) FIND_PACKAGE(wxWidgets REQUIRED html stc adv core gl base scintilla) else () FIND_PACKAGE(wxWidgets REQUIRED html stc adv core gl base) endif () INCLUDE(${wxWidgets_USE_FILE}) - - - - if(APPLE) - add_definitions(-D__MAC__) - elseif(UNIX) - add_definitions(-D__GIL__) - endif() - -else() - add_definitions(-DCRY_NOGUI) - if(UNIX) - add_definitions(-D__LIN__) - endif() endif() if ( usePY ) + if ( WIN32 ) + message(STATUS "Building the python crystals interface Win32 embedded version") + else() + find_package(Python3 COMPONENTS Development) message(STATUS "Building the python crystals interface") - add_definitions(-DCRY_PY) -endif() - -if ( WIN32 ) - add_definitions(-DCRY_OSWIN32) - if ( IFORT_COMPILER ) - add_definitions(-D__INW__) - else () - add_definitions(-D__MIN__) - endif() -endif() - -if ( APPLE ) - add_definitions(-DCRY_OSMAC) + endif() + add_definitions(-DCRY_PY) + ADD_SUBDIRECTORY(py) endif() -if ( MSYS ) - add_definitions(-DCRY_OSWIN32) -endif() if( compileHDF5 ) SET(useHDF5 ON) @@ -291,8 +305,7 @@ else () endif () endif () -# Required to assign hollerith data in a legacy manner to integers -add_definitions(-D _HOL_) + string (TIMESTAMP CRYYEAR "%Y") string (TIMESTAMP CRYMONTH "%b") @@ -397,6 +410,14 @@ IF (Fortran_COMPILER_NAME MATCHES "gfortran") # gfortran message(STATUS ${CMAKE_RC_COMPILE_OBJECT}) +# message(STATUS "Win32 gcc/gfortran enableing wx dll flag") + +# message(STATUS "${wxWidgets_DEFINITIONS}") + +# add_definitions(-DWXUSINGDLL) +# add_definitions(-D_UNICODE) +# add_definitions(-D__WXMSW__) + endif() ELSEIF ( IFORT_COMPILER ) # ifort (untested) @@ -436,7 +457,7 @@ ELSEIF ( IFORT_COMPILER ) # ifort (untested) add_definitions(-DNDEBUG) endif() - include_directories(gui) +# include_directories(gui) @@ -459,11 +480,11 @@ ENDIF () -IF (${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION} GREATER 3.0) - check_fortran_compiler_flag("-std=legacy" _std_legacy_flag) +# check_fortran_compiler_flag("-std=legacy" _std_legacy_flag) check_fortran_compiler_flag("-fexceptions" _f_exceptions) check_fortran_compiler_flag("-fno-sign-zero" _f_no_signzero) + if(_std_legacy_flag) # set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -std=legacy") set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -std=gnu") @@ -476,14 +497,11 @@ IF (${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION} GREATER 3.0) set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -fno-sign-zero") set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -fno-sign-zero") endif() -ELSE () -# set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -std=legacy") - set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -std=gnu") - set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -fexceptions") - set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -fexceptions") - set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -fno-sign-zero") - set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -fno-sign-zero") -ENDIF () + +# Required to assign hollerith data in a legacy manner to integers +target_compile_definitions(GeneralDefines INTERFACE _HOL_) + + if( useGGDB3 ) message(STATUS "Using dwarf3 debug format") @@ -514,6 +532,25 @@ endif () #ENABLE_TESTING() #INCLUDE(CTest) + + + +if ( useGUI ) + target_compile_definitions(CrystalsDefines INTERFACE CRY_GUI) + target_compile_definitions(CrystalsDefines INTERFACE CRY_USEWX) + if(APPLE) + target_compile_definitions(GeneralDefines INTERFACE __MAC__) + elseif(UNIX) + target_compile_definitions(GeneralDefines INTERFACE __GIL__) + endif() +else() + target_compile_definitions(CrystalsDefines INTERFACE CRY_NOGUI) + if(UNIX) + target_compile_definitions(GeneralDefines INTERFACE __LIN__) + endif() +endif() + + # Libraries ADD_SUBDIRECTORY(manual) ADD_SUBDIRECTORY(script) @@ -526,14 +563,16 @@ if ( useGUI ) ADD_SUBDIRECTORY(gui) endif() ADD_SUBDIRECTORY(bits) -if ( usePY ) - ADD_SUBDIRECTORY(pyinterface) -endif() #if (IFORT_COMPILER) # add_subdirectory(mklbuilder) #endif + + + + + # Because external project call cmake externally too we need to pass the compiler and module path via cmake_args if(compileHDF5) include(${CMAKE_ROOT}/Modules/ExternalProject.cmake) @@ -632,49 +671,18 @@ if( useHDF5 ) endif () #ADD_CUSTOM_COMMAND ( OUTPUT commands.dsc COMMAND ${CMAKE_COMMAND} -E copy datafiles/commands.dsc . DEPENDS subdscbuild ${CMAKE_BINARY_DIR}/datafiles/commands.dsc ) -# Script file sources and targets -FILE (GLOB sscfiles RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}" "${CMAKE_CURRENT_SOURCE_DIR}/script/*.ssc") -SET (scpfiles) -FOREACH (_file ${sscfiles}) - STRING(REPLACE ".ssc" ".scp" file_scp ${_file}) - ADD_CUSTOM_COMMAND( OUTPUT ${file_scp} - COMMAND ${PERL_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/editor/filepp.pl -ds -w -imacros ${CMAKE_CURRENT_SOURCE_DIR}/gui/crystalsinterface.h -o ${file_scp} ${flags} -DCRYSVNVER=${CRYSVNVER} -DCRYVERSUM=${CRYVERSUM} -DCRYMONTH=${CRYMONTH} -DCRYYEAR=${CRYYEAR} ${CMAKE_CURRENT_SOURCE_DIR}/${_file} - DEPENDS ${_file} ) - LIST(APPEND scpfiles ${file_scp}) -ENDFOREACH() - - - -# Data file sources and targets - -FILE (GLOB sdafiles RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}" "${CMAKE_CURRENT_SOURCE_DIR}/script/*.sda") -SET (datfiles) -FOREACH (_file ${sdafiles}) - STRING(REPLACE ".sda" ".dat" file_dat ${_file}) - ADD_CUSTOM_COMMAND( OUTPUT ${file_dat} - COMMAND perl ${CMAKE_CURRENT_SOURCE_DIR}/editor/filepp.pl -ds -w -imacros ${CMAKE_CURRENT_SOURCE_DIR}/gui/crystalsinterface.h -o ${file_dat} ${flags} -DCRYSVNVER=${CRYSVNVER} -DCRYMONTH=${CRYMONTH} -DCRYYEAR=${CRYYEAR} -DCRYVERSUM=${CRYVERSUM} ${CMAKE_CURRENT_SOURCE_DIR}/${_file} - DEPENDS ${_file} ) - LIST(APPEND datfiles ${file_dat}) -ENDFOREACH() - -FILE (GLOB ssrfiles RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}/datafiles" "${CMAKE_CURRENT_SOURCE_DIR}/datafiles/*.ssr") -SET (srtfiles) -FOREACH (_file ${ssrfiles}) - STRING(REPLACE ".ssr" ".srt" file_srt ${_file}) - ADD_CUSTOM_COMMAND( OUTPUT ${file_srt} - COMMAND perl ${CMAKE_CURRENT_SOURCE_DIR}/editor/filepp.pl -ds -w -imacros ${CMAKE_CURRENT_SOURCE_DIR}/gui/crystalsinterface.h -o ${file_srt} ${flags} -DCRYARCH=${CRYARCH} -DCRYHOST=${CRYHOST} -DCRYSVNVER=${CRYSVNVER} -DCRYVERSUM=${CRYVERSUM} -DCRYMONTH=${CRYMONTH} -DCRYYEAR=${CRYYEAR} ${CMAKE_CURRENT_SOURCE_DIR}/datafiles/${_file} - DEPENDS datafiles/${_file} ) - LIST(APPEND srtfiles ${file_srt}) -ENDFOREACH() if ( useGUI ) INCLUDE_DIRECTORIES(${CMAKE_BINARY_DIR}/crys_fortran) - ADD_EXECUTABLE (crystals WIN32 ${scpfiles} ${datfiles} ${srtfiles} $ ${CMAKE_SOURCE_DIR}/gui/fwrapper_gui.F90 ${CMAKE_SOURCE_DIR}/gui/fwrapperimp_gui.F90 gui/gcrystals.cpp crystals/crystals.F gui/wx.rc) - ADD_EXECUTABLE (crystalscl ${scpfiles} ${datfiles} ${srtfiles} crystals/crystals-cl.F ${CMAKE_SOURCE_DIR}/gui/fwrapperimp_cl.F90 ) + ADD_EXECUTABLE (crystals WIN32 ${CMAKE_SOURCE_DIR}/gui/fwrapper_gui.F90 ${CMAKE_SOURCE_DIR}/gui/fwrapperimp_gui.F90 gui/gcrystals.cpp crystals/crystals.F gui/wx.rc) + ADD_EXECUTABLE (crystalscl crystals/crystals-cl.F ${CMAKE_SOURCE_DIR}/gui/fwrapperimp_cl.F90 ) +# if ( usePY ) +# target_link_libraries ( crystals winembeddedpy ) +# endif() if(MSYS) SET(OPENGL_INCLUDE_DIR "/mingw64/x86_64-w64-mingw32/include/") @@ -683,56 +691,119 @@ if ( useGUI ) else () SET(MSYS2LIBS "" ) endif() + find_package(OpenGL REQUIRED) message(STATUS "Using OpenGL libraries: ${OPENGL_LIBRARIES}") include_directories( ${OPENGL_INCLUDE_DIRS} ) - target_link_libraries(crystals ${OPENGL_LIBRARIES} ) - -if ( useMULTIDEF_WORKAROUND ) - set (CMAKE_EXE_LINKER_FLAGS -Wl,--allow-multiple-definition ) -endif() - TARGET_LINK_LIBRARIES(crystals CrystalsFortran CameronFortran ${wxWidgets_LIBRARIES} ${MSYS2LIBS} ${wxSTATICEXTRA_LIBS}) - SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES COMPILE_DEFINITIONS CRY_GUI) + TARGET_LINK_LIBRARIES(crystals PUBLIC CrystalsFortran CameronFortran CrystalsUserInterface ${wxWidgets_LIBRARIES} ${MSYS2LIBS} ${wxSTATICEXTRA_LIBS} ${Python3_LIBRARIES}) + target_link_libraries(crystals PUBLIC CrystalsScripts ) + target_link_libraries(crystals PUBLIC CrystalsData ) + target_link_libraries(crystals PUBLIC ${OPENGL_LIBRARIES} ) +# SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES COMPILE_DEFINITIONS CRY_GUI) SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES Fortran_MODULE_DIRECTORY ${Fortran_MODULE_DIRECTORY} ) # SET_TARGET_PROPERTIES(crystalscl PROPERTIES LINKER_LANGUAGE Fortran) - TARGET_LINK_LIBRARIES(crystalscl CrystalsFortran CameronFortran) + TARGET_LINK_LIBRARIES(crystalscl PUBLIC CrystalsFortran CameronFortran ${Python3_LIBRARIES}) + target_link_libraries(crystalscl PUBLIC CrystalsScripts ) # SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES COMPILE_DEFINITIONS CRY_NOGUI) -elseif( usePY ) - ADD_EXECUTABLE (crystals ${scpfiles} ${datfiles} ${srtfiles} crystals/crystals.F) - SET_TARGET_PROPERTIES(crystals PROPERTIES LINKER_LANGUAGE Fortran) - TARGET_LINK_LIBRARIES(crystals CrystalsFortran CameronFortran ) -else() - ADD_EXECUTABLE (crystals ${scpfiles} ${datfiles} ${srtfiles} crystals/crystals.F) +else() # command line version + + ADD_EXECUTABLE (crystals crystals/crystals.F ${CMAKE_SOURCE_DIR}/gui/fwrapper_gui.F90 ) SET_TARGET_PROPERTIES(crystals PROPERTIES LINKER_LANGUAGE Fortran) - TARGET_LINK_LIBRARIES(crystals CrystalsFortran CameronFortran) + TARGET_LINK_LIBRARIES(crystals PUBLIC CrystalsFortran CameronFortran ${Python3_LIBRARIES}) + SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES Fortran_MODULE_DIRECTORY ${Fortran_MODULE_DIRECTORY} ) SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES COMPILE_DEFINITIONS CRY_NOGUI) + endif() +target_include_directories(CrystalsDefines INTERFACE ${Fortran_MODULE_DIRECTORY}) +target_include_directories(CrystalsDefines INTERFACE gui) +#if ( useGUI ) +# target_include_directories(crystalscl PUBLIC ${Fortran_MODULE_DIRECTORY}) +#endif() + + + + +if ( useCustomMKL ) + message(STATUS "Using Custom MKL library: ./mkl_custom.lib") + target_link_libraries (crystals PUBLIC "mkl_custom.lib" ) + target_link_directories(crystals PUBLIC ${CMAKE_BINARY_DIR} ) + if ( useGUI ) + target_link_libraries (crystalscl PUBLIC "mkl_custom.lib" ) + target_link_directories(crystalscl PUBLIC ${CMAKE_BINARY_DIR} ) + endif() +else() + if(BLAS_FOUND AND LAPACK_FOUND) + if(BLAS_LIBRARIES_DIR) + target_link_directories(crystals PUBLIC ${BLAS_LIBRARIES_DIR} ) + if ( useGUI ) + target_link_directories(crystalscl PUBLIC ${BLAS_LIBRARIES_DIR} ) + endif() + endif() + if ( BLAS_LIBRARIES ) + target_link_libraries (crystals PUBLIC ${BLAS_LIBRARIES} ) + if ( useGUI ) + target_link_libraries (crystalscl PUBLIC ${BLAS_LIBRARIES} ) + endif() + endif() + if ( BLAS_LINKER_FLAGS ) + uniquely_add_flags ( CMAKE_MODULE_LINKER_FLAGS ${BLAS_LINKER_FLAGS} ) + endif() + + if(LAPACK_LIBRARIES_DIR) + link_directories( ${LAPACK_LIBRARIES_DIR} ) + endif() + if ( LAPACK_LIBRARIES ) + link_libraries ( ${LAPACK_LIBRARIES} ) + endif() + if ( LAPACK_LINKER_FLAGS ) + uniquely_add_flags ( CMAKE_MODULE_LINKER_FLAGS ${LAPACK_LINKER_FLAGS} ) + endif() + message(STATUS "Using BLAS library: ${BLAS_LIBRARIES}") + else () + message(STATUS "Using builtin BLAS and LAPACK library") + add_definitions(-DCRY_OWNLAPACK) + endif () +endif () + +if(BLA_VENDOR) + STRING(TOUPPER ${BLA_VENDOR} TEMP) + if(TEMP MATCHES "INTEL") + add_definitions(-DCRY_MKL) + endif() +endif () + + + + + + + +#if ( useGUI ) +# target_compile_definitions(CrystalsDefines INTERFACE CRY_USEWX) +#endif() + + + IF (IFORT_COMPILER) SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES COMPILE_DEFINITIONS CRY_FORTINTEL) ENDIF() if(OpenBLAS_LIBRARY) - TARGET_LINK_LIBRARIES(crystals ${OpenBLAS_LIBRARY}) - if ( useGUI ) - TARGET_LINK_LIBRARIES(crystalscl ${OpenBLAS_LIBRARY}) - endif () + TARGET_LINK_LIBRARIES(CrystalsDefines INTERFACE ${OpenBLAS_LIBRARY}) endif () if( useHDF5 ) if( WIN32 ) - TARGET_LINK_LIBRARIES(crystalscl "${HDF5_LIBRARIES}") - TARGET_LINK_LIBRARIES(crystals "${HDF5_LIBRARIES}") + TARGET_LINK_LIBRARIES(CrystalsDefines INTERFACE "${HDF5_LIBRARIES}") else () - TARGET_LINK_LIBRARIES(crystalscl "${HDF5_LIBRARIES};dl") - TARGET_LINK_LIBRARIES(crystals "${HDF5_LIBRARIES};dl") + TARGET_LINK_LIBRARIES(CrystalsDefines INTERFACE "${HDF5_LIBRARIES};dl") endif () - TARGET_LINK_LIBRARIES(crystalscl ${ZLIB_LIBRARIES}) - TARGET_LINK_LIBRARIES(crystals ${ZLIB_LIBRARIES}) + TARGET_LINK_LIBRARIES(CrystalsDefines INTERFACE ${ZLIB_LIBRARIES}) ADD_CUSTOM_TARGET ( h5build ALL DEPENDS commands.h5 crystals ) ADD_CUSTOM_TARGET ( h5startups ALL DEPENDS h5build ${srtfiles} ) endif () @@ -740,5 +811,7 @@ endif () ADD_CUSTOM_TARGET ( startups ALL DEPENDS dscbuild ${srtfiles} ) ADD_CUSTOM_TARGET ( dscbuild ALL DEPENDS commands.dsc crystals ) + + # Unit testing ADD_SUBDIRECTORY(pFunit) diff --git a/bin/crystals-gh.iss b/bin/crystals-gh.iss index 9db77c7f0..2171de290 100644 --- a/bin/crystals-gh.iss +++ b/bin/crystals-gh.iss @@ -72,6 +72,9 @@ Name: {app}\Script Name: {autoappdata}\crystals\demo; Permissions: users-modify Name: {app}\mce Name: {app}\MCE\mce_manual_soubory +#if 'TRUE' == GetEnv('CRYPY') +Name: {app}\pyembed; +#endif [Files] Source: ..\ci\*.*; DestDir: {app}\; Excludes: "make*,buildfile.bat,code.bat,*.cmake,CMake*,CPack*,*.mod,crystalscl.exe,"; Flags: ignoreversion; @@ -79,6 +82,9 @@ Source: ..\ci\script\*.*; DestDir: {app}\script\; Excludes: "*~,*.cmake,Makefile Source: ..\ci\mce\*.*; DestDir: {app}\mce\; Flags: ignoreversion recursesubdirs; Source: ..\ci\manual\*.*; DestDir: {app}\manual\; Flags: ignoreversion recursesubdirs; Excludes: "make*,*.cmake,CMake*,CPack*," Source: ..\ci\demo\*; DestDir: {autoappdata}\crystals\demo\; Flags: recursesubdirs; Excludes: "*.doc"; Permissions: users-modify; +#if 'TRUE' == GetEnv('CRYPY') +Source: ..\ci\pyembed\*.*; DestDir: {app}\pyembed\; Flags: ignoreversion recursesubdirs; +#endif [Icons] Name: "{userdesktop}\Crystals"; Filename: "{app}\crystals.exe"; Parameters: "/browse"; WorkingDir: "{app}"; IconFilename: "{app}\crystals.exe"; IconIndex: 0; Check: Not IsAdminInstallMode; @@ -188,8 +194,6 @@ begin end; - - [Registry] ;NB. CRYSDIR is no longer stored in the registry, so don't set it - it will mess up left-over old versions of CRYSTALS (which we can't uninstall without admin privileges.) ; Location is no longer used by crysload to find the .exe - it just assumes it will be alongside. diff --git a/bin/crystals.iss b/bin/crystals.iss index bab2972a5..8a8eb1e62 100644 --- a/bin/crystals.iss +++ b/bin/crystals.iss @@ -71,6 +71,7 @@ Name: {app}\MCE\mce_manual_soubory [Files] Source: ..\build\*.*; DestDir: {app}\; Excludes: "make*,buildfile.bat,code.bat"; Flags: ignoreversion; Source: ..\build\script\*.*; DestDir: {app}\script\; Excludes: "*~"; +Source: ..\build\pyembed\*.*; DestDir: {app}\pyembed\; Excludes: "*~"; Source: ..\build\mce\*.*; DestDir: {app}\mce\; Flags: ignoreversion recursesubdirs; Source: ..\build\manual\*.*; DestDir: {app}\manual\; Flags: ignoreversion recursesubdirs; Source: ..\build\demo\*; DestDir: {autoappdata}\crystals\demo\; Flags: recursesubdirs; Excludes: "*.doc"; Permissions: users-modify; diff --git a/bits/CMakeLists.txt b/bits/CMakeLists.txt index 3d2784588..96ba2a9d3 100644 --- a/bits/CMakeLists.txt +++ b/bits/CMakeLists.txt @@ -1,6 +1,6 @@ -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) project(Bits) diff --git a/bits/Diffractometers/CMakeLists.txt b/bits/Diffractometers/CMakeLists.txt index 4e30d103e..d8f3e5f03 100644 --- a/bits/Diffractometers/CMakeLists.txt +++ b/bits/Diffractometers/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) diff --git a/bits/cif2cry/CMakeLists.txt b/bits/cif2cry/CMakeLists.txt index 8fb62bdb3..37ecbda56 100644 --- a/bits/cif2cry/CMakeLists.txt +++ b/bits/cif2cry/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) @@ -29,6 +29,9 @@ SET (CMAKE_Fortran_FLAGS_RELEASE "-O1 -std=legacy -fno-automatic -fno-inline") message(STATUS "cif2cry fortran flags: ${CMAKE_Fortran_FLAGS_RELEASE}") add_executable (cif2cry cif2cry.F ../Common/nobuf.c) + +target_link_libraries( cif2cry PUBLIC GeneralDefines ) + message(STATUS "End building cif2cry") message("") diff --git a/bits/convplat/CMakeLists.txt b/bits/convplat/CMakeLists.txt index a20ab0a08..6c8ed1538 100644 --- a/bits/convplat/CMakeLists.txt +++ b/bits/convplat/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) diff --git a/bits/csd2cry/CMakeLists.txt b/bits/csd2cry/CMakeLists.txt index 9198cd71d..398037c0b 100644 --- a/bits/csd2cry/CMakeLists.txt +++ b/bits/csd2cry/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) diff --git a/bits/delred/CMakeLists.txt b/bits/delred/CMakeLists.txt index b433a74b8..6c9e8e0a1 100644 --- a/bits/delred/CMakeLists.txt +++ b/bits/delred/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) diff --git a/bits/edma/CMakeLists.txt b/bits/edma/CMakeLists.txt index 3c3833ac9..64483c896 100644 --- a/bits/edma/CMakeLists.txt +++ b/bits/edma/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) message("Args: -DSF_MODPATH=${SF_MODPATH} -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}") set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${SF_MODPATH}") diff --git a/bits/foxman/CMakeLists.txt b/bits/foxman/CMakeLists.txt index fb1b30c4b..01db1dd61 100644 --- a/bits/foxman/CMakeLists.txt +++ b/bits/foxman/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) diff --git a/bits/hklf5/CMakeLists.txt b/bits/hklf5/CMakeLists.txt index bc2666985..2c4341c30 100644 --- a/bits/hklf5/CMakeLists.txt +++ b/bits/hklf5/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) diff --git a/bits/loader/CMakeLists.txt b/bits/loader/CMakeLists.txt new file mode 100644 index 000000000..2f032b050 --- /dev/null +++ b/bits/loader/CMakeLists.txt @@ -0,0 +1,21 @@ +set(CMAKE_BUILD_TYPE Release) + +if(APPLE) + SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) +ENDIF(APPLE) + +cmake_minimum_required(VERSION 3.0) + + +set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) + +# Executables + +add_definitions(-D_GNUF77_) +add_definitions(-D _HOL_) + + +add_executable (crysload crysload.cc) + + + diff --git a/bits/reindex/CMakeLists.txt b/bits/reindex/CMakeLists.txt index e76be7c3a..d8dbe6a92 100644 --- a/bits/reindex/CMakeLists.txt +++ b/bits/reindex/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) diff --git a/bits/shelx2cry/CMakeLists.txt b/bits/shelx2cry/CMakeLists.txt index a183d30b6..ac66ccbc7 100644 --- a/bits/shelx2cry/CMakeLists.txt +++ b/bits/shelx2cry/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) SET( Fortran_MODULE_DIRECTORY "${CMAKE_BINARY_DIR}/FortranModules" ) message(STATUS "Modules saved at [${CMAKE_BINARY_DIR}/FortranModules]") diff --git a/bits/shelx2cry/pFunit/CMakeLists.txt b/bits/shelx2cry/pFunit/CMakeLists.txt index 03e366267..74ebd676b 100644 --- a/bits/shelx2cry/pFunit/CMakeLists.txt +++ b/bits/shelx2cry/pFunit/CMakeLists.txt @@ -1,4 +1,4 @@ -cmake_minimum_required(VERSION 2.8 FATAL_ERROR) +cmake_minimum_required(VERSION 3.0 FATAL_ERROR) if(NOT WIN32) string(ASCII 27 Esc) diff --git a/bits/shelxs/CMakeLists.txt b/bits/shelxs/CMakeLists.txt index 11e10a7e8..69ac6a79c 100644 --- a/bits/shelxs/CMakeLists.txt +++ b/bits/shelxs/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) diff --git a/bits/sir92/CMakeLists.txt b/bits/sir92/CMakeLists.txt index 1f39c074e..8a58ba0d9 100644 --- a/bits/sir92/CMakeLists.txt +++ b/bits/sir92/CMakeLists.txt @@ -14,7 +14,7 @@ IF (IFORT_COMPILER) ENDIF() -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) set (EXECUTABLE_OUTPUT_PATH ${CMAKE_BINARY_DIR}) diff --git a/bits/superflip/CMakeLists.txt b/bits/superflip/CMakeLists.txt index f5f907d59..35b4ec9e8 100644 --- a/bits/superflip/CMakeLists.txt +++ b/bits/superflip/CMakeLists.txt @@ -10,7 +10,7 @@ if(APPLE) SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) ENDIF(APPLE) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) message("Args: -DSF_MODPATH=${SF_MODPATH} -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}") set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${SF_MODPATH}") diff --git a/build/buildfile.bat b/build/buildfile.bat index 2356b5038..009c36c6d 100755 --- a/build/buildfile.bat +++ b/build/buildfile.bat @@ -81,6 +81,14 @@ @goto fcomp @ :tryCPP +@rem CRYSTALS CPP FILES +@if not exist ..\crystals\%FILENAME%.cpp goto tryGUICPP +@set CCSRC=..\crystals\%FILESTEM%.cpp +@set JUMPBACK=tryGUICPP +@set FILEFOUND=OK +@goto ccomp +@ +:tryGUICPP @rem GUI CC FILES @if not exist ..\gui\%FILENAME%.cpp goto tryWEB @set CCSRC=..\gui\%FILESTEM%.cpp diff --git a/build/make_w32_crystals.bat b/build/make_w32_crystals.bat index 0979e52de..9fba3c62c 100755 --- a/build/make_w32_crystals.bat +++ b/build/make_w32_crystals.bat @@ -50,6 +50,8 @@ copy ".\builder\mkl_custom.lib" . REM @FOR %%I IN ( ..\crystals\*.f90 ) DO ( @call buildfile.bat %%I || (echo buildfile.bat returned an error & goto error )) @FOR %%I IN ( ..\gui\fwrapper_gui.F90 ..\gui\fwrapperimp_gui.F90 ) DO ( @call buildfile.bat %%I || (echo buildfile.bat returned an error & goto error )) +call buildfile.bat python + set FLIST= for %%x in (..\crystals\*.F) do if not "%%x" == "..\crystals\crystals-cl.F" set FLIST=!FLIST! %%x set LIST=%LIST:~1% diff --git a/build/make_w32_include.bat b/build/make_w32_include.bat index c675303ab..f757ce364 100755 --- a/build/make_w32_include.bat +++ b/build/make_w32_include.bat @@ -59,8 +59,8 @@ goto ALLDVF @if "%CRDEBUG%" == "TRUE" set LIBS=/link /subsystem:windows -libpath:%WXLIB% -libpath:..\crashrpt wxbase%WXNUM%ud.lib wxmsw%WXNUM%ud_core.lib wxmsw%WXNUM%ud_aui.lib wxmsw%WXNUM%ud_stc.lib wxzlibd.lib wxjpegd.lib wxtiffd.lib wxpngd.lib wxmsw%WXNUM%ud_gl.lib shell32.lib user32.lib ole32.lib comctl32.lib rpcrt4.lib winmm.lib advapi32.lib wsock32.lib Comdlg32.lib Oleaut32.lib Winspool.lib @if not "%CRDEBUG%" == "TRUE" set LIBS=/link /subsystem:windows -libpath:%WXLIB% -libpath:..\crashrpt wxbase%WXNUM%u.lib wxmsw%WXNUM%u_core.lib wxmsw%WXNUM%u_aui.lib wxmsw%WXNUM%u_stc.lib wxzlib.lib wxjpeg.lib wxtiff.lib wxpng.lib wxmsw%WXNUM%u_gl.lib user32.lib shell32.lib ole32.lib comctl32.lib rpcrt4.lib winmm.lib advapi32.lib wsock32.lib Comdlg32.lib Oleaut32.lib Winspool.lib @set LIBS=%LIBS% rc.res -@if "%CRDEBUG%" == "TRUE" @set CDEF= /I%WXWIN%\include /I%WXLIB%\mswud /I..\crashrpt /D"WXUSINGDLL" /D"CRY_DEBUG" -@if not "%CRDEBUG%" == "TRUE" @set CDEF= /I%WXWIN%\include /I%WXLIB%\mswu /I..\crashrpt /D"WXUSINGDLL" +@if "%CRDEBUG%" == "TRUE" @set CDEF= /I%WXWIN%\include /I%WXLIB%\mswud /I..\crashrpt /I..\python-headers-win\Include /D"Py_BUILD_CORE" /D"WXUSINGDLL" /D"CRY_DEBUG" /D"CRY_OSWIN32" +@if not "%CRDEBUG%" == "TRUE" @set CDEF= /I%WXWIN%\include /I%WXLIB%\mswu /I..\crashrpt /I..\python-headers-win\Include /D"Py_BUILD_CORE" /D"WXUSINGDLL" /D"CRY_OSWIN32" @if "%CROPENMP%" == "TRUE" @set COPENMP=/Qopenmp @if not "%CROPENMP%" == "TRUE" @set COPENMP= @set FDEF=-D__INW__ -DCRY_GUI -DCRY_USEWX -DCRY_OSWIN32 -DCRY_FORTINTEL -D_NOHDF5_ diff --git a/cameron/CMakeLists.txt b/cameron/CMakeLists.txt index ac76f6de8..0b64cd6cc 100644 --- a/cameron/CMakeLists.txt +++ b/cameron/CMakeLists.txt @@ -5,19 +5,9 @@ message(STATUS "Building cameron") enable_language(Fortran) # Reset flags -set(CMAKE_Fortran_FLAGS "") - -if ( useGUI ) -#add_definitions(-D_GIL_) -#add_definitions(-D__WXMAC__) -#add_definitions(-D__WXOSX__) -#add_definitions(-D__WXOSX_COCOA__) -add_definitions(-D__WXUSINGDLL) -endif() +#set(CMAKE_Fortran_FLAGS "") + -#add_definitions(-I/Users/richard.cooper/crystals/crystals) -add_definitions(-I\"${CMAKE_CURRENT_SOURCE_DIR}/../crystals\") -add_definitions(-I\"${CMAKE_CURRENT_BINARY_DIR}/../crys_fortran\") GET_FILENAME_COMPONENT (Fortran_COMPILER_NAME "${CMAKE_Fortran_COMPILER}" NAME) if ((Fortran_COMPILER_NAME MATCHES "ifort") OR (Fortran_COMPILER_NAME MATCHES "ifort.exe")) # ifort (untested) @@ -34,9 +24,6 @@ add_definitions(-fno-inline) add_definitions(-fexceptions) ENDIF() -add_definitions(-D _HOL_) -#add_definitions(-arch x86_64) - message(STATUS "cameron fortran flags: ${CMAKE_Fortran_FLAGS_RELEASE}") add_library(CameronFortran STATIC @@ -57,5 +44,10 @@ vander.F wincode.F ) +target_link_libraries( CameronFortran PUBLIC CrystalsDefines ) +target_include_directories(CameronFortran PRIVATE "${CMAKE_CURRENT_SOURCE_DIR}/../crystals" ) +target_include_directories(CameronFortran PRIVATE "${CMAKE_CURRENT_BINARY_DIR}/../crys_fortran" ) + + message(STATUS "End building cameron") message("") diff --git a/crystals/CMakeLists.txt b/crystals/CMakeLists.txt index 6db2bdfeb..fceb47cbb 100644 --- a/crystals/CMakeLists.txt +++ b/crystals/CMakeLists.txt @@ -1,21 +1,24 @@ - - enable_language(Fortran) +enable_language(C) +# This CrystalsFortran library is used by crystals and crystalscl from the folder above. +# The GUI switches however are set on a project level, so crystalscl ends up with GUI flags. +# This seems to work ok for now. Long-term tidy - move affected functions to separate files (e.g. copy +# how crystals.F and crystals-cl.F works) -if ( useGUI ) -add_definitions(-D__WXUSINGDLL) -add_definitions(-DCRY_GUI) -else() -add_definitions(-DCRY_NOGUI) -endif() +#if ( useGUI ) +#add_definitions(-D__WXUSINGDLL) +#add_definitions(-DCRY_GUI) +#else() +#add_definitions(-DCRY_NOGUI) +#endif() #add_library(PySpecific STATIC #pyspecific.F #) -add_library(CrystalsFortran STATIC +set(CRY_SOURCES helper.c mrgrnk.f90 crystals_hdf5.F90 @@ -152,6 +155,38 @@ weight.F lapack.F ) + +if ( usePY ) + set(CRY_SOURCES ${CRY_SOURCES} python.cpp) +endif() + +add_library(CrystalsFortran STATIC ${CRY_SOURCES}) + +target_link_libraries( CrystalsFortran PUBLIC CrystalsDefines ) + +target_include_directories(CrystalsFortran PUBLIC ${Fortran_MODULE_DIRECTORY}) + + +if ( usePY ) + if ( WIN32 ) + target_include_directories(CrystalsFortran PUBLIC ${CMAKE_SOURCE_DIR}/python-headers-win/Include/) + set(PYTHON3_INCLUDE_DIRS ${CMAKE_SOURCE_DIR}/python-headers-win/Include) + target_include_directories(CrystalsFortran PUBLIC ${CMAKE_SOURCE_DIR}/python-headers-win/PC) + target_include_directories(CrystalsFortran PUBLIC ${PYTHON3_INCLUDE_DIRS}) + message(STATUS "Setting include folder: ${PYTHON3_INCLUDE_DIRS}") + else() + target_include_directories(CrystalsFortran PUBLIC ${Python3_INCLUDE_DIRS}) + message(STATUS "Include folder: ${Python3_INCLUDE_DIRS}") + endif() +endif() + +if(useOPENMP) + find_package(OpenMP) + if (OPENMP_FOUND) + target_compile_definitions(CrystalsFortran PRIVATE ${OpenMP_Fortran_FLAGS}) + endif() +endif () + if (Fortran_COMPILER_NAME MATCHES "gfortran") # gfortran # gfortran: Trap NaN as those seem to appear sometimes in the fourier test # Not applied globally because it breaks things @@ -166,9 +201,7 @@ SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES LINKER_LANGUAGE Fortran) # These lines add definitions at the preprocessor stage - when CMake is checking for module dependencies in the Fortran. # Without these lines modules may be built in the wrong order causing a compilation failure in parallel builds. if ( useGUI ) -SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES COMPILE_DEFINITIONS CRY_GUI) + SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES COMPILE_DEFINITIONS CRY_GUI) else() -SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES COMPILE_DEFINITIONS CRY_NOGUI) + SET_TARGET_PROPERTIES(CrystalsFortran PROPERTIES COMPILE_DEFINITIONS CRY_NOGUI) endif() - - diff --git a/crystals/XERRRS.INC b/crystals/XERRRS.INC deleted file mode 100644 index bdcc6415c..000000000 --- a/crystals/XERRRS.INC +++ /dev/null @@ -1,3 +0,0 @@ - DIMENSION KDAT(9) - COMMON /XERRRS/ NXWAVE - diff --git a/crystals/XPRGNM.INC b/crystals/XPRGNM.INC index 72f021ba2..b41c817c6 100644 --- a/crystals/XPRGNM.INC +++ b/crystals/XPRGNM.INC @@ -1,2 +1,3 @@ + INTEGER KPRGNM COMMON/XPRGNM/KPRGNM(17) diff --git a/crystals/XSSVAL.INC b/crystals/XSSVAL.INC index 7efcfb12a..3a67fec13 100644 --- a/crystals/XSSVAL.INC +++ b/crystals/XSSVAL.INC @@ -1,3 +1,13 @@ + INTEGER ISSISS , ISSVER , ISSMAC , ISSOPS, + 2 ISSDAT , ISSSEG , ISSOLD , ISSNEW , ISSCIF , ISSFNF , + 3 ISSREA , ISSWRI , ISSBFS , ISSNBF , ISSPAG , ISSRLI , + 4 ISSBLI , ISSWLI , ISSRLF , ISSBLF , ISSWLF , ISSPRG, + 5 ISSLSM , ISSSPD , ISSTIM , ISSL11 , ISSLNM , ISSINI , + 6 ISSSTA , ISSBAN , ISSSFI , ISSDAR , ISSTML , ISSFLC, + 7 ISSMSG , ISSPRT , ISSEOF , ISSERF , ISSOKF , ISSSCR, + 8 ISSUNK , ISSGEN , ISSFLM , ISSPAS , ISSEXP, ISSUEQ, + 9 ISSAPP , ISSUPD , ISSSEQ , ISSDAF , ISSBND, ISSCSH, + 1 ISSRAT , ISSMON COMMON /XSSVAL/ ISSISS , ISSVER , ISSMAC(2) , ISSOPS(2) , 2 ISSDAT(4) , ISSSEG , ISSOLD , ISSNEW , ISSCIF , ISSFNF , 3 ISSREA , ISSWRI , ISSBFS , ISSNBF , ISSPAG , ISSRLI , diff --git a/crystals/XSYSHF.INC b/crystals/XSYSHF.INC index 6a05a1f6e..d52e31383 100644 --- a/crystals/XSYSHF.INC +++ b/crystals/XSYSHF.INC @@ -1,2 +1 @@ - COMMON/XSYSHF/NWHF,NHF,LHF,IHF(88) - + COMMON/XSYSHF/NWHF,NHF,LHF,IHF(92) diff --git a/crystals/XUNITS.INC b/crystals/XUNITS.INC index 85e3ee0e4..26546835b 100644 --- a/crystals/XUNITS.INC +++ b/crystals/XUNITS.INC @@ -1,10 +1,10 @@ INTEGER NCRU,NCRRU,NCWU,NCPU,IPAGE,NCARU,NCAWU, 1 IQUN,JQUN,IERFLG ,IUSFLG,NCSU,NCEXTR,NCQUE,NCCBU, 2 NCFPU1, NCFPU2, NUCOM, NCVDU, NCEROR, NCADU, NCMU, NCCHW, - 3 NCPDU, NCDBU, NCEXTR2 + 3 NCPDU, NCDBU, NCEXTR2, INPYTH COMMON/XUNITS/NCRU,NCRRU,NCWU,NCPU,IPAGE(5),NCARU,NCAWU, 1 IQUN,JQUN,IERFLG ,IUSFLG,NCSU,NCEXTR,NCQUE,NCCBU, 2 NCFPU1, NCFPU2, NUCOM, NCVDU, NCEROR, NCADU, NCMU, NCCHW, - 3 NCPDU, NCDBU, NCEXTR2 + 3 NCPDU, NCDBU, NCEXTR2, INPYTH diff --git a/crystals/control.F b/crystals/control.F index 2cd37d29f..46351ec72 100644 --- a/crystals/control.F +++ b/crystals/control.F @@ -2509,3 +2509,195 @@ SUBROUTINE XLL50R(NUMB) RETURN END +C This can be called by main entry (above). + + SUBROUTINE COMPROC() + IMPLICIT NONE +C For IERFLG + INCLUDE 'XUNITS.INC' +C For IB + INCLUDE 'XCHARS.INC' +C For KPRGNM + INCLUDE 'XPRGNM.INC' +C For CMON + INCLUDE 'XIOBUF.INC' +C For ISSVAL + INCLUDE 'XSSVAL.INC' + + INTEGER LSTOP, LSTNO, ICLASS, NPROG, I + INTEGER KNXTOP, KCOMP + + INTEGER PROGLS, KOLDER + DIMENSION PROGLS(4,18) + + DATA NPROG / 18 / + +C -- SET UP AVAILABLE PROGRAM LIST. +C NAMES RESTRICTED TO FIRST 16 CHARACTERS OF THOSE IN COMMANDFILE +#if !defined(_HOL_) + DATA PROGLS(1,1) / 'CRYS' / , PROGLS(2,1) / 'TALS' / + DATA PROGLS(3,1) / 'INPU' / , PROGLS(4,1) / 'T ' / + DATA PROGLS(1,2) / 'CRYS' / , PROGLS(2,2) / 'TALS' / + DATA PROGLS(3,2) / 'FIDD' / , PROGLS(4,2) / 'LE ' / + DATA PROGLS(1,3) / 'CRYS' / , PROGLS(2,3) / 'TALS' / + DATA PROGLS(3,3) / 'CALC' / , PROGLS(4,3) / 'ULAT' / + DATA PROGLS(1,4) / 'CRYS' / , PROGLS(2,4) / 'TALS' / + DATA PROGLS(3,4) / 'INVE' / , PROGLS(4,4) / 'RT ' / + DATA PROGLS(1,5) / 'CRYS' / , PROGLS(2,5) / 'TALS' / + DATA PROGLS(3,5) / 'REST' / , PROGLS(4,5) / 'RAIN' / + DATA PROGLS(1,6) / 'CRYS' / , PROGLS(2,6) / 'TALS' / + DATA PROGLS(3,6) / 'GEOM' / , PROGLS(4,6) / 'ETRY' / + DATA PROGLS(1,7) / 'CRYS' / , PROGLS(2,7) / 'TALS' / + DATA PROGLS(3,7) / 'ANIS' / , PROGLS(4,7) / 'O ' / + DATA PROGLS(1,8) / 'CRYS' / , PROGLS(2,8) / 'TALS' / + DATA PROGLS(3,8) / 'ALTE' / , PROGLS(4,8) / 'R5 ' / + DATA PROGLS(1,9) / 'CRYS' / , PROGLS(2,9) / 'TALS' / + DATA PROGLS(3,9) / 'WEIG' / , PROGLS(4,9) / 'HT ' / + DATA PROGLS(1,10) / 'CRYS' / , PROGLS(2,10) / 'TALS' / + DATA PROGLS(3,10) / 'DIST' / , PROGLS(4,10) / 'ANCE' / + DATA PROGLS(1,11) / 'CRYS' / , PROGLS(2,11) / 'TALS' / + DATA PROGLS(3,11) / 'FOUR' / , PROGLS(4,11) / 'IER ' / + DATA PROGLS(1,12) / 'CRYS' / , PROGLS(2,12) / 'TALS' / + DATA PROGLS(3,12) / 'INPU' / , PROGLS(4,12) / 'T6 ' / + DATA PROGLS(1,13) / 'CRYS' / , PROGLS(2,13) / 'TALS' / + DATA PROGLS(3,13) / 'PROC' / , PROGLS(4,13) / 'ESS6' / + DATA PROGLS(1,14) / 'CRYS' / , PROGLS(2,14) / 'TALS' / + DATA PROGLS(3,14) / 'TRIA' / , PROGLS(4,14) / 'L ' / + DATA PROGLS(1,15) / 'CRYS' / , PROGLS(2,15) / 'TALS' / + DATA PROGLS(3,15) / 'PROC' / , PROGLS(4,15) / 'ESS ' / + DATA PROGLS(1,16) / 'CRYS' / , PROGLS(2,16) / 'TALS' / + DATA PROGLS(3,16) / 'PUBL' / , PROGLS(4,16) / 'ISH ' / + DATA PROGLS(1,17) / 'CRYS' / , PROGLS(2,17) / 'TALS' / + DATA PROGLS(3,17) / 'FORE' / , PROGLS(4,17) / 'IGN ' / + DATA PROGLS(1,18) / 'CRYS' / , PROGLS(2,18) / 'TALS' / + DATA PROGLS(3,18) / 'DIFA' / , PROGLS(4,18) / 'BS ' / +#else + DATA PROGLS(1,1) / 4HCRYS / , PROGLS(2,1) / 4HTALS / + DATA PROGLS(3,1) / 4HINPU / , PROGLS(4,1) / 4HT / + DATA PROGLS(1,2) / 4HCRYS / , PROGLS(2,2) / 4HTALS / + DATA PROGLS(3,2) / 4HFIDD / , PROGLS(4,2) / 4HLE / + DATA PROGLS(1,3) / 4HCRYS / , PROGLS(2,3) / 4HTALS / + DATA PROGLS(3,3) / 4HCALC / , PROGLS(4,3) / 4HULAT / + DATA PROGLS(1,4) / 4HCRYS / , PROGLS(2,4) / 4HTALS / + DATA PROGLS(3,4) / 4HINVE / , PROGLS(4,4) / 4HRT / + DATA PROGLS(1,5) / 4HCRYS / , PROGLS(2,5) / 4HTALS / + DATA PROGLS(3,5) / 4HREST / , PROGLS(4,5) / 4HRAIN / + DATA PROGLS(1,6) / 4HCRYS / , PROGLS(2,6) / 4HTALS / + DATA PROGLS(3,6) / 4HGEOM / , PROGLS(4,6) / 4HETRY / + DATA PROGLS(1,7) / 4HCRYS / , PROGLS(2,7) / 4HTALS / + DATA PROGLS(3,7) / 4HANIS / , PROGLS(4,7) / 4HO / + DATA PROGLS(1,8) / 4HCRYS / , PROGLS(2,8) / 4HTALS / + DATA PROGLS(3,8) / 4HALTE / , PROGLS(4,8) / 4HR5 / + DATA PROGLS(1,9) / 4HCRYS / , PROGLS(2,9) / 4HTALS / + DATA PROGLS(3,9) / 4HWEIG / , PROGLS(4,9) / 4HHT / + DATA PROGLS(1,10) / 4HCRYS / , PROGLS(2,10) / 4HTALS / + DATA PROGLS(3,10) / 4HDIST / , PROGLS(4,10) / 4HANCE / + DATA PROGLS(1,11) / 4HCRYS / , PROGLS(2,11) / 4HTALS / + DATA PROGLS(3,11) / 4HFOUR / , PROGLS(4,11) / 4HIER / + DATA PROGLS(1,12) / 4HCRYS / , PROGLS(2,12) / 4HTALS / + DATA PROGLS(3,12) / 4HINPU / , PROGLS(4,12) / 4HT6 / + DATA PROGLS(1,13) / 4HCRYS / , PROGLS(2,13) / 4HTALS / + DATA PROGLS(3,13) / 4HPROC / , PROGLS(4,13) / 4HESS6 / + DATA PROGLS(1,14) / 4HCRYS / , PROGLS(2,14) / 4HTALS / + DATA PROGLS(3,14) / 4HTRIA / , PROGLS(4,14) / 4HL / + DATA PROGLS(1,15) / 4HCRYS / , PROGLS(2,15) / 4HTALS / + DATA PROGLS(3,15) / 4HPROC / , PROGLS(4,15) / 4HESS / + DATA PROGLS(1,16) / 4HCRYS / , PROGLS(2,16) / 4HTALS / + DATA PROGLS(3,16) / 4HPUBL / , PROGLS(4,16) / 4HISH / + DATA PROGLS(1,17) / 4HCRYS / , PROGLS(2,17) / 4HTALS / + DATA PROGLS(3,17) / 4HFORE / , PROGLS(4,17) / 4HIGN / + DATA PROGLS(1,18) / 4HCRYS / , PROGLS(2,18) / 4HTALS / + DATA PROGLS(3,18) / 4HDIFA / , PROGLS(4,18) / 4HBS / +#endif + + KOLDER = IERFLG + CALL XGUIUP(0) + IERFLG = KOLDER + + CALL XFILL(IB,KPRGNM,17) !No longer in a program sub-unit. + I = KNXTOP ( LSTOP,LSTNO,ICLASS ) + +C----- CHECK IF THIS SEGMENT NAME IS AVAILABLE + I=KCOMP(4,KPRGNM,PROGLS,NPROG,4) + + IF ( I .LE. 0 ) GO TO 9920 + +C----- GOTO THE APPROPRIATE SECTION + + GOTO(3010,3020,3030,3040,3050,3060,3070,3080,3090, + 2 3100 , 3110 , 3120 , 3130 , 3140 , + 3 3150 , 3160 , 3170 , 3180 , 9920 ) , I + GO TO 9920 +C +C +3010 CONTINUE + CALL INPUT + GOTO 1210 +3020 CONTINUE + CALL FIDDLE + GOTO 1210 +3030 CONTINUE + CALL CALCUL + GOTO 1210 +3040 CONTINUE + CALL INVERT + GOTO 1210 +3050 CONTINUE + CALL RESTR + GOTO 1210 +3060 CONTINUE + CALL GEOMET + GOTO 1210 +3070 CONTINUE + CALL ANISO + GOTO 1210 +3080 CONTINUE + CALL ALTER5 + GOTO 1210 +3090 CONTINUE + CALL WEIGHT + GOTO 1210 +3100 CONTINUE + CALL DISTAN + GOTO 1210 +3110 CONTINUE + CALL FOURIE + GOTO 1210 +3120 CONTINUE + CALL INPUT6 + GOTO 1210 +3130 CONTINUE + CALL PRCSS6 + GOTO 1210 +3140 CONTINUE + CALL TRIAL + GOTO 1210 +3150 CONTINUE + CALL PRCSS + GOTO 1210 +3160 CONTINUE + CALL PUBLSH + GOTO 1210 +3170 CONTINUE + CALL FOREIG + GO TO 1210 +3180 CONTINUE + CALL DIFABS + GO TO 1210 + +1210 CONTINUE + RETURN +C +C +C +9920 CONTINUE + WRITE ( CMON, 9925) + CALL XPRVDU(NCEROR, 1,0) +9925 FORMAT ( 1X , 'Illegal program name selected' ) + GO TO 9990 +C +9990 CONTINUE +C STOP 'CRYSTALS START ERROR' + if (issmon.ne.1) CALL SETISSMON(0) ! Turn monitoring back on + CALL GUEXIT (2004) + END diff --git a/crystals/crystals-cl.F b/crystals/crystals-cl.F index 2e9480aae..f333a46cc 100644 --- a/crystals/crystals-cl.F +++ b/crystals/crystals-cl.F @@ -203,94 +203,22 @@ SUBROUTINE CRYSTL() bind (c) ENDIF C 1210 CONTINUE + CALL COMPROC() + GOTO 1210 + END - KOLDER = IERFLG - - CALL XGUIUP(0) + +C This can be called by PYTHON process after it has setup a queue of commands to be processed. - IERFLG = KOLDER +#ifdef CRY_FORTDIGITAL + SUBROUTINE cryproc() + !dec$ attributes c :: cryproc +#else + SUBROUTINE cryproc() bind (c) +#endif + CALL COMPROC() + END - CALL XFILL(IB,KPRGNM,17) !No longer in a program sub-unit. - I = KNXTOP ( LSTOP,LSTNO,ICLASS ) -C----- CHECK IF THIS SEGMENT NAME IS AVAILABLE - I=KCOMP(4,KPRGNM,PROGLS,NPROG,4) - IF ( I .LE. 0 ) GO TO 9920 -C----- GOTO THE APPROPRIATE SECTION - GOTO(3010,3020,3030,3040,3050,3060,3070,3080,3090, - 2 3100 , 3110 , 3120 , 3130 , 3140 , - 3 3150 , 3160 , 3170 , 3180 , 9920 ) , I - GO TO 9920 -C -C -3010 CONTINUE - CALL INPUT - GOTO 1210 -3020 CONTINUE - CALL FIDDLE - GOTO 1210 -3030 CONTINUE - CALL CALCUL - GOTO 1210 -3040 CONTINUE - CALL INVERT - GOTO 1210 -3050 CONTINUE - CALL RESTR - GOTO 1210 -3060 CONTINUE - CALL GEOMET - GOTO 1210 -3070 CONTINUE - CALL ANISO - GOTO 1210 -3080 CONTINUE - CALL ALTER5 - GOTO 1210 -3090 CONTINUE - CALL WEIGHT - GOTO 1210 -C -3100 CONTINUE - CALL DISTAN - GOTO 1210 -3110 CONTINUE - CALL FOURIE - GOTO 1210 -3120 CONTINUE - CALL INPUT6 - GOTO 1210 -3130 CONTINUE - CALL PRCSS6 - GOTO 1210 -3140 CONTINUE - CALL TRIAL - GOTO 1210 -3150 CONTINUE - CALL PRCSS - GOTO 1210 -3160 CONTINUE - CALL PUBLSH - GOTO 1210 -3170 CONTINUE - CALL FOREIG - GO TO 1210 -3180 CONTINUE - CALL DIFABS - GO TO 1210 -C -C -C -9920 CONTINUE - WRITE ( CMON, 9925) - CALL XPRVDU(NCEROR, 1,0) -9925 FORMAT ( 1X , 'Illegal program name selected' ) - GO TO 9990 -C -9990 CONTINUE -C STOP 'CRYSTALS START ERROR' - if (issmon.ne.1) CALL SETISSMON(0) ! Turn monitoring back on - CALL GUEXIT (2004) - END CODE FOR GETCOM SUBROUTINE GETCOM(CLINE) diff --git a/crystals/crystals.F b/crystals/crystals.F index 736384f98..bdf463253 100644 --- a/crystals/crystals.F +++ b/crystals/crystals.F @@ -101,7 +101,6 @@ SUBROUTINE CRYSTL() bind (c) C DATA IN PRESETS, OR IN AN ASSIGNMENT BELOW. C INCLUDE 'ISTORE.INC' - DIMENSION PROGLS(4,18) C-- C INCLUDE 'STORE.INC' @@ -119,7 +118,6 @@ SUBROUTINE CRYSTL() bind (c) INCLUDE 'XCHARS.INC' INCLUDE 'QSTORE.INC' - INTEGER PROGLS C C C -- DECLARE EXTERNAL REFERENCES TO BLOCK DATA SEGMENTS @@ -132,91 +130,10 @@ SUBROUTINE CRYSTL() bind (c) #ifdef _DOS_ EXTERNAL MYDRIV C -C -- SET UP AVAILABLE PROGRAM LIST. -C NAMES RESTRICTED TO FIRST 16 CHARACTERS OF THOSE IN COMMANDFILE C -#endif - DATA NPROG / 18 / -#if !defined(_HOL_) - DATA PROGLS(1,1) / 'CRYS' / , PROGLS(2,1) / 'TALS' / - DATA PROGLS(3,1) / 'INPU' / , PROGLS(4,1) / 'T ' / - DATA PROGLS(1,2) / 'CRYS' / , PROGLS(2,2) / 'TALS' / - DATA PROGLS(3,2) / 'FIDD' / , PROGLS(4,2) / 'LE ' / - DATA PROGLS(1,3) / 'CRYS' / , PROGLS(2,3) / 'TALS' / - DATA PROGLS(3,3) / 'CALC' / , PROGLS(4,3) / 'ULAT' / - DATA PROGLS(1,4) / 'CRYS' / , PROGLS(2,4) / 'TALS' / - DATA PROGLS(3,4) / 'INVE' / , PROGLS(4,4) / 'RT ' / - DATA PROGLS(1,5) / 'CRYS' / , PROGLS(2,5) / 'TALS' / - DATA PROGLS(3,5) / 'REST' / , PROGLS(4,5) / 'RAIN' / - DATA PROGLS(1,6) / 'CRYS' / , PROGLS(2,6) / 'TALS' / - DATA PROGLS(3,6) / 'GEOM' / , PROGLS(4,6) / 'ETRY' / - DATA PROGLS(1,7) / 'CRYS' / , PROGLS(2,7) / 'TALS' / - DATA PROGLS(3,7) / 'ANIS' / , PROGLS(4,7) / 'O ' / - DATA PROGLS(1,8) / 'CRYS' / , PROGLS(2,8) / 'TALS' / - DATA PROGLS(3,8) / 'ALTE' / , PROGLS(4,8) / 'R5 ' / - DATA PROGLS(1,9) / 'CRYS' / , PROGLS(2,9) / 'TALS' / - DATA PROGLS(3,9) / 'WEIG' / , PROGLS(4,9) / 'HT ' / - DATA PROGLS(1,10) / 'CRYS' / , PROGLS(2,10) / 'TALS' / - DATA PROGLS(3,10) / 'DIST' / , PROGLS(4,10) / 'ANCE' / - DATA PROGLS(1,11) / 'CRYS' / , PROGLS(2,11) / 'TALS' / - DATA PROGLS(3,11) / 'FOUR' / , PROGLS(4,11) / 'IER ' / - DATA PROGLS(1,12) / 'CRYS' / , PROGLS(2,12) / 'TALS' / - DATA PROGLS(3,12) / 'INPU' / , PROGLS(4,12) / 'T6 ' / - DATA PROGLS(1,13) / 'CRYS' / , PROGLS(2,13) / 'TALS' / - DATA PROGLS(3,13) / 'PROC' / , PROGLS(4,13) / 'ESS6' / - DATA PROGLS(1,14) / 'CRYS' / , PROGLS(2,14) / 'TALS' / - DATA PROGLS(3,14) / 'TRIA' / , PROGLS(4,14) / 'L ' / - DATA PROGLS(1,15) / 'CRYS' / , PROGLS(2,15) / 'TALS' / - DATA PROGLS(3,15) / 'PROC' / , PROGLS(4,15) / 'ESS ' / - DATA PROGLS(1,16) / 'CRYS' / , PROGLS(2,16) / 'TALS' / - DATA PROGLS(3,16) / 'PUBL' / , PROGLS(4,16) / 'ISH ' / - DATA PROGLS(1,17) / 'CRYS' / , PROGLS(2,17) / 'TALS' / - DATA PROGLS(3,17) / 'FORE' / , PROGLS(4,17) / 'IGN ' / - DATA PROGLS(1,18) / 'CRYS' / , PROGLS(2,18) / 'TALS' / - DATA PROGLS(3,18) / 'DIFA' / , PROGLS(4,18) / 'BS ' / -#else - DATA PROGLS(1,1) / 4HCRYS / , PROGLS(2,1) / 4HTALS / -#endif -#ifdef _HOL_ - DATA PROGLS(3,1) / 4HINPU / , PROGLS(4,1) / 4HT / - DATA PROGLS(1,2) / 4HCRYS / , PROGLS(2,2) / 4HTALS / - DATA PROGLS(3,2) / 4HFIDD / , PROGLS(4,2) / 4HLE / - DATA PROGLS(1,3) / 4HCRYS / , PROGLS(2,3) / 4HTALS / - DATA PROGLS(3,3) / 4HCALC / , PROGLS(4,3) / 4HULAT / - DATA PROGLS(1,4) / 4HCRYS / , PROGLS(2,4) / 4HTALS / - DATA PROGLS(3,4) / 4HINVE / , PROGLS(4,4) / 4HRT / - DATA PROGLS(1,5) / 4HCRYS / , PROGLS(2,5) / 4HTALS / - DATA PROGLS(3,5) / 4HREST / , PROGLS(4,5) / 4HRAIN / - DATA PROGLS(1,6) / 4HCRYS / , PROGLS(2,6) / 4HTALS / - DATA PROGLS(3,6) / 4HGEOM / , PROGLS(4,6) / 4HETRY / - DATA PROGLS(1,7) / 4HCRYS / , PROGLS(2,7) / 4HTALS / - DATA PROGLS(3,7) / 4HANIS / , PROGLS(4,7) / 4HO / - DATA PROGLS(1,8) / 4HCRYS / , PROGLS(2,8) / 4HTALS / - DATA PROGLS(3,8) / 4HALTE / , PROGLS(4,8) / 4HR5 / - DATA PROGLS(1,9) / 4HCRYS / , PROGLS(2,9) / 4HTALS / - DATA PROGLS(3,9) / 4HWEIG / , PROGLS(4,9) / 4HHT / - DATA PROGLS(1,10) / 4HCRYS / , PROGLS(2,10) / 4HTALS / - DATA PROGLS(3,10) / 4HDIST / , PROGLS(4,10) / 4HANCE / - DATA PROGLS(1,11) / 4HCRYS / , PROGLS(2,11) / 4HTALS / - DATA PROGLS(3,11) / 4HFOUR / , PROGLS(4,11) / 4HIER / - DATA PROGLS(1,12) / 4HCRYS / , PROGLS(2,12) / 4HTALS / - DATA PROGLS(3,12) / 4HINPU / , PROGLS(4,12) / 4HT6 / - DATA PROGLS(1,13) / 4HCRYS / , PROGLS(2,13) / 4HTALS / - DATA PROGLS(3,13) / 4HPROC / , PROGLS(4,13) / 4HESS6 / - DATA PROGLS(1,14) / 4HCRYS / , PROGLS(2,14) / 4HTALS / - DATA PROGLS(3,14) / 4HTRIA / , PROGLS(4,14) / 4HL / - DATA PROGLS(1,15) / 4HCRYS / , PROGLS(2,15) / 4HTALS / - DATA PROGLS(3,15) / 4HPROC / , PROGLS(4,15) / 4HESS / - DATA PROGLS(1,16) / 4HCRYS / , PROGLS(2,16) / 4HTALS / - DATA PROGLS(3,16) / 4HPUBL / , PROGLS(4,16) / 4HISH / - DATA PROGLS(1,17) / 4HCRYS / , PROGLS(2,17) / 4HTALS / - DATA PROGLS(3,17) / 4HFORE / , PROGLS(4,17) / 4HIGN / - DATA PROGLS(1,18) / 4HCRYS / , PROGLS(2,18) / 4HTALS / - DATA PROGLS(3,18) / 4HDIFA / , PROGLS(4,18) / 4HBS / -C -C Re-initialise system variables in case starting again. #endif + INPYTH = 0 !Not currently in a python script, if entering via this subroutine. CALL CRESET !These routines reinitialise SOME of the COMMON block variables, but CALL CAMSET !they also ensure those object files (presets and block) are linked. C @@ -251,99 +168,29 @@ SUBROUTINE CRYSTL() bind (c) ENDIF C 1210 CONTINUE + CALL COMPROC() + GOTO 1210 + END + + + +C This can be called by PYTHON process after it has setup a queue of commands to be processed. - KOLDER = IERFLG - - CALL XGUIUP(0) - - IERFLG = KOLDER - - CALL XFILL(IB,KPRGNM,17) !No longer in a program sub-unit. - I = KNXTOP ( LSTOP,LSTNO,ICLASS ) -C----- CHECK IF THIS SEGMENT NAME IS AVAILABLE - I=KCOMP(4,KPRGNM,PROGLS,NPROG,4) - IF ( I .LE. 0 ) GO TO 9920 -C----- GOTO THE APPROPRIATE SECTION - GOTO(3010,3020,3030,3040,3050,3060,3070,3080,3090, - 2 3100 , 3110 , 3120 , 3130 , 3140 , - 3 3150 , 3160 , 3170 , 3180 , 9920 ) , I - GO TO 9920 -C -C -3010 CONTINUE - CALL INPUT - GOTO 1210 -3020 CONTINUE - CALL FIDDLE - GOTO 1210 -3030 CONTINUE - CALL CALCUL - GOTO 1210 -3040 CONTINUE - CALL INVERT - GOTO 1210 -3050 CONTINUE - CALL RESTR - GOTO 1210 -3060 CONTINUE - CALL GEOMET - GOTO 1210 -3070 CONTINUE - CALL ANISO - GOTO 1210 -3080 CONTINUE - CALL ALTER5 - GOTO 1210 -3090 CONTINUE - CALL WEIGHT - GOTO 1210 -C -3100 CONTINUE - CALL DISTAN - GOTO 1210 -3110 CONTINUE - CALL FOURIE - GOTO 1210 -3120 CONTINUE - CALL INPUT6 - GOTO 1210 -3130 CONTINUE - CALL PRCSS6 - GOTO 1210 -3140 CONTINUE - CALL TRIAL - GOTO 1210 -3150 CONTINUE - CALL PRCSS - GOTO 1210 -3160 CONTINUE - CALL PUBLSH - GOTO 1210 -3170 CONTINUE - CALL FOREIG - GO TO 1210 -3180 CONTINUE - CALL DIFABS - GO TO 1210 -C -C -C -9920 CONTINUE - WRITE ( CMON, 9925) - CALL XPRVDU(NCEROR, 1,0) -9925 FORMAT ( 1X , 'Illegal program name selected' ) - GO TO 9990 -C -9990 CONTINUE -C STOP 'CRYSTALS START ERROR' - if (issmon.ne.1) CALL SETISSMON(0) ! Turn monitoring back on - CALL GUEXIT (2004) - END +#ifdef CRY_FORTDIGITAL + SUBROUTINE cryproc() + !dec$ attributes c :: cryproc +#else + SUBROUTINE cryproc() bind (c) +#endif + CALL COMPROC() + END + +C If you're here looking for the main program branching (calls to KNXTOP) they've been moved to the end of control.F + CODE FOR GETCOM SUBROUTINE GETCOM(CLINE) -#ifdef CRY_GUI - use fwrappergui_mod, only: cinextcommand + use fwrappergui_mod, only: cinextcommand, getcommand INTEGER ISTAT CHARACTER*256 CALINE INCLUDE 'XSSVAL.INC' @@ -354,10 +201,30 @@ SUBROUTINE GETCOM(CLINE) INCLUDE 'XUNITS.INC' CHARACTER *(*) CLINE - CALINE=' ' - ISTAT = 0 - CALL cinextcommand(ISTAT,CALINE) - READ(CALINE,'(A)') CLINE +#ifdef CRY_PY +C Check if we have been called by python script. + IF ( INPYTH .GT. 0 ) THEN + INPYTH = 0 + call getcommand( len(caline), caline ) + READ(CALINE,'(A)') CLINE + INPYTH = 1 ! If we didn't longjmp out of getcommand, then we're here and still in a python script. + ELSE +#endif + +#ifdef CRY_GUI + CALINE=' ' + ISTAT = 0 + CALL cinextcommand(ISTAT,CALINE) + READ(CALINE,'(A)') CLINE +#else + READ( NCUFU(1), '(A)') CLINE +#endif + +#ifdef CRY_PY + END IF +#endif + +#ifdef CRY_GUI IF ( LCLOSE ) THEN WRITE(CMON,'(A)') '^^WI SET PROGOUTPUT TEXT = ' CALL XPRVDU (NCVDU,1,0) @@ -366,19 +233,6 @@ SUBROUTINE GETCOM(CLINE) WRITE(CMON,'(A)') '^^CR ' CALL XPRVDU (NCVDU,1,0) ENDIF - - -#else - INCLUDE 'XSSVAL.INC' - INCLUDE 'UFILE.INC' - INCLUDE 'CAMPAR.INC' - INCLUDE 'CAMBLK.INC' - INCLUDE 'XIOBUF.INC' - INCLUDE 'XUNITS.INC' - CHARACTER *(*) CLINE - - READ( NCUFU(1), '(A)') CLINE - #endif END SUBROUTINE diff --git a/crystals/distangl.F b/crystals/distangl.F index 7e684668d..3428a0371 100644 --- a/crystals/distangl.F +++ b/crystals/distangl.F @@ -762,6 +762,15 @@ SUBROUTINE XDIST LDISTB = .FALSE. C--SET THE TIMING FUNCTION CALL XTIME1(2) + +C Ensure list 41 dependencies are up to date: + IF ( K41DEP() .LT. 0 ) THEN + write(cmon,'(a)') '{I Updating L41' + CALL XPRVDU(NCVDU, 1,0) + CALL XCSAE + CALL XBCALC(1) + ENDIF + CALL XCSAE C----- INITIALISE FUNCTION VECTOR USE JFNVC = 1 diff --git a/crystals/genedit.F b/crystals/genedit.F index 72b2e0c7b..1572c05c8 100644 --- a/crystals/genedit.F +++ b/crystals/genedit.F @@ -835,6 +835,142 @@ SUBROUTINE XGENED END + +CODE FOR KGEDPY +C +C Fill a flattened 2D array in OUTPUT(ON) with NRECS*RECLN elements of all records of type RN from list GLN. +C Input +C GLN - list number to access ( RETURN -1 if not available ) +C RN - record number in list to access ( RETURN -2 if invalid ) +C OUTPUT - a float array of length ON +C ON - length of OUTPUT array, set to zero on first call to discover required size via NRECS and RECLN values. +C +C Output +C RETURN VALUE - negative error code from above, or 0 if successful ( RETURN -4 for unknown error ) +C OUTPUT - filled with data. If ON != RECLN * NRECS then RETURN RECLN*NRECS - OUTPUT is still filled, but only up to available length +C RECLN - length of records retrieved for this GLN and RN +C NRECS - number of records retrieved for this GLN and RN +C +C E.g. call once with ON set to zero, then create an OUTPUT array of correct size and call again. + +C IRET = KGEDPY(5, 101, OUTPUT, 0, NRECS, RECLN) +C ALLOCATE OUTPUT(IRET) +C JRET = KGEDPY(5, 101, OUTPUT, IRET, NRECS, RECLN) +CC Output now contains all list 5 record 101 entries. +C +C For a first try, all data is extracted as float. +C + INTEGER FUNCTION KGEDPY(GLN,RN,OUTPUT,ON,NRECS,RECLN) bind(c) +C +C REMEMBER +C DATA IS STORED IN RECORD NUMBER n, DEFINED IN 'COMMANDS' +C A RECORD CONSISTS OF NGRP GROUPS +C A GROUP CONTAINS LENGRP ITEMS +C +C IF A RECORD CAN BE LOCATED, NGRP IS GT 0 AND +C THE RECORD BEGINS AT IRCADR +C + use lists1_mod, only: xrlind + use lists2_mod, only: xldlst + + CHARACTER*80 CFORM(3) , CIFORM + CHARACTER*132 CGENSB + CHARACTER*33 CEVARI , CTVARI, CUVARI + INTEGER GLN, RN, ON, NRECS, RECLN + REAL OUTPUT(ON) +C + INCLUDE 'ISTORE.INC' +C + INCLUDE 'STORE.INC' + INCLUDE 'XLST50.INC' + INCLUDE 'XLISTI.INC' + INCLUDE 'XCARDS.INC' + INCLUDE 'XUNITS.INC' + INCLUDE 'XSSVAL.INC' + INCLUDE 'XERVAL.INC' + INCLUDE 'XOPVAL.INC' + INCLUDE 'XIOBUF.INC' + INCLUDE 'XSIZES.INC' + INCLUDE 'TRDDAT.INC' + INCLUDE 'XRDDAT.INC' + INCLUDE 'UFILE.INC' +C + INCLUDE 'QSTORE.INC' + DATA LLSTCM / 512 / +C +C -- ALLOCATE SPACE FOR 'COMMON BLOCK' AREA + ILSTCM = KSTALL ( LLSTCM ) + + NRECS = 0 + RECLN = 0 + KGEDPY = -4 ! Set to unexpected error until we're ready to return success. +C + CFORM(1) = '(1X,F15.5)' + CFORM(2) = '(1X,F15.5)' + CFORM(3) = '(1X,F15.5)' +C + CEVARI = ' ' + CTVARI = ' ' + ILEVEL = 1 + IERROR = IERWRN + ILVACT = 0 +C + IRTYPE = 0 + LDATA = 0 + MDATA = 0 + NMAX = 0 + +C +C LOCATE KEY DISPLAY FORMAT SEARCH +C GROUP ERROR INSERT DELETE WRITE +C TRANSFER CHANGE RECORD CHECK OPERATE +C TOP NEXT PREVIOUS BOTTOM +C TRANSHEAD GETSERIAL SORT GENERALEDIT +C +c GO TO ( 2100 , 2200 , 2300 , 2400 , 2500 , +c 2 2600 , 2700 , 2800 , 2900 , 3000 , +c 3 3100 , 3200 , 3300 , 3400 , 3500 , +c 4 2420, 2440 , 2460 , 2480 , +c 5 3150 , 3160, 3170, 1500 , 9920 ) , IDIR +c GO TO 9920 + + +C -- LOAD LIST + CALL XLDLST ( GLN , ISTORE(ILSTCM) , LLSTCM , -1 ) + IF ( IERFLG .LE. 0 ) THEN + KGEDPY = -1 + RETURN + END IF + +C -- FIND RECORD + ISTAT = KHUNTR ( GLN , RN , IADDL , IADDR , IADDD , -1 ) + IF ( ISTAT .NE. 0 ) THEN + KGEDPY = -2 + RETURN + ENDIF +C + RECLN = ISTORE(IADDR+4) + NRECS = ISTORE(IADDR+5) + LDATA = ISTORE(IADDR+3) + ICMADR = ILSTCM + ISTORE(IADDR+7) + 2 +C + KGEDPY = NRECS * RECLN + + ICOPYS = MIN(KGEDPY,ON) + + DO I = 1, ICOPYS + OUTPUT(I) = STORE(LDATA+I-1) + END DO + +! We should reset STORE pointers before returning, or they will creep slowly upwards until next # instruction. + + RETURN + + END + + + + CODE FOR GENLOG SUBROUTINE GENLOG C Log the current generaledit directive. diff --git a/crystals/hydrogen.F b/crystals/hydrogen.F index a35fe0d88..f4ae7c234 100644 --- a/crystals/hydrogen.F +++ b/crystals/hydrogen.F @@ -672,8 +672,15 @@ SUBROUTINE XPERHY C--READ THE INPUT DATA IF (KLEXAN(IULN,IFIRST,LENGTH).LT.0) GO TO 2600 C--DATA INPUT - CLEAR THE STORE + IF ( K41DEP() .LT. 0 ) THEN + write(cmon,'(a)') '{I Updating L41' + CALL XPRVDU(NCVDU, 1,0) + CALL XRSL + CALL XCSAE + CALL XBCALC(1) + ENDIF CALL XRSL - CALL XCSAE + CALL XCSAE C----- SET NUMBER OF HYDROGENS ADDED NHADD = 0 C----- CLEAR A BUFFER @@ -722,7 +729,6 @@ SUBROUTINE XPERHY CALL XDIST2 IF (IERFLG.LT.0) GO TO 2550 C - CALL XBCALC(1) C--SET THE DIMENSION OF THE COMMON BLOCK FOR LIST 12 IDIM12=40 C--INDICATE THAT LIST 12 IS NOT TO BE USED diff --git a/crystals/presets.F b/crystals/presets.F index 605671a7c..9b407d473 100644 --- a/crystals/presets.F +++ b/crystals/presets.F @@ -320,7 +320,7 @@ BLOCK DATA CRYBLK INCLUDE 'XSCCHR.INC' INCLUDE 'XSCGBL.INC' INCLUDE 'XSCMSG.INC' - INCLUDE 'XERRRS.INC' +C INCLUDE 'XERRRS.INC' C INCLUDE 'XMENUI.INC' C @@ -1161,7 +1161,8 @@ BLOCK DATA CRYBLK 8 1HC, 1HL, 1HO, 1HS, 1HS, 1HP, 1HA, 1HW, 9 1H$, 1H , 1H , 1H , 1HA, 1HP, 1HP, 1HE, 1 1HB, 1HE, 1HN, 1HC, 1HD, 1HE, 1HF, 1HI, - 2 1HF, 1HL, 1HU, 1HS, 1HI, 1HM, 1HP, 1HO / + 2 1HF, 1HL, 1HU, 1HS, 1HI, 1HM, 1HP, 1HO, + 2 1HP, 1HY, 1HT, 1HH / #else DATA KTITL( 1)/'THIS'/,KTITL( 2)/' IS '/,KTITL( 3)/'THE '/ @@ -1199,7 +1200,8 @@ BLOCK DATA CRYBLK 8 'C', 'L', 'O', 'S', 'S', 'P', 'A', 'W', 9 '$', ' ', ' ', ' ', 'A', 'P', 'P', 'E', 1 'B', 'E', 'N', 'C', 'D', 'E', 'F', 'I', - 2 'F', 'L', 'U', 'S', 'I', 'M', 'P', 'O' / + 2 'F', 'L', 'U', 'S', 'I', 'M', 'P', 'O', + 2 'P', 'Y', 'T', 'H' / #endif C DATA MD0/8/,N0/0/,LN/0/,LSN/0/,IREC/0/,LEF/0/,LSTLEF/0/,MAPS/0/ @@ -1213,7 +1215,7 @@ BLOCK DATA CRYBLK C C -- DEFINE SYSTEM INSTRUCTIONS cdjwmar99 - DATA NWHF / 4 / , NHF / 22 / , LHF / 4 / + DATA NWHF / 4 / , NHF / 23 / , LHF / 4 / C C C @@ -1903,8 +1905,8 @@ BLOCK DATA CRYBLK DATA IOPABN / 1 / , IOPCMI / 2 / , IOPEND / 3 / DATA IOPPRC / 4 / , IOPSPC / 5 / , IOPLSP / 6 / DATA IOPINT / 7 / , IOPLSE / 8 / , IOPVER / 9 / -C -- VALUES FOR ERRORS STORED IN LIST 39 - DATA NXWAVE / 1 / +CC -- VALUES FOR ERRORS STORED IN LIST 39 +C DATA NXWAVE / 1 / C -- INITIAL VALUES FOR DIRECT ACCESS FILE CONTROL DATA IDAINI / 0 / , IDATOT / -1 / , IDAMAX / 0 / diff --git a/crystals/python.cpp b/crystals/python.cpp new file mode 100644 index 000000000..a37e89234 --- /dev/null +++ b/crystals/python.cpp @@ -0,0 +1,1057 @@ + +extern "C" { + +#include +void setcommand(char *commandline); +void cxxgetcommand(int length, char *commandline); +static jmp_buf thebeginning; +void cryproc(); +int kgedpy(int &ln,int &rn,float* output,int &on,int & nrecs,int & recln); + + +#ifdef CRY_OSWIN32 + #define PY_SSIZE_T_CLEAN + #include + #include +#else + #include +#endif + +#define Py_NO_ENABLE_SHARED 1 // Stop pyconfig trying to define which libraries to link to. + +#ifdef _DEBUG // Not sure this is needed. + + #undef _DEBUG //Prevent linking debug build of python + #include //Needed for the definitions of PyObject, PyModuleDef, etc. + #define _DEBUG 1 + +#else + + #include //Needed for the definitions of PyObject, PyModuleDef, etc. + +#endif + +#include + + +// What happens here? +// +// The routine runpy is the only entry point: it takes a filename and passes it to the Python interpreter to run. +// +// Some things to note: +// +// 1. On Windows, the DLL is loaded dynamically, therefore all the function addresses have to be explicitly looked up +// and their interfaces specified here. If future DLLs change the interface, things will break. +// 2. On Windows, you can't pass FILE* pointers for files that you've opened to the DLL functions (different runtime library). +// Instead you can open files using a Python function _Py_fopen_obj and pass that pointer in. Now you know. +// 3. On initialization we setup a python module to redirect stdout and stderr from the python process back to us (in CRYSTALS), +// so that we can output them to the screen. +// 4. After running a python file, we run another bit of Python code to clear any global variables to avoid unwanted side-effects +// between running files. Only __builtin__ functions and crys_xxx variables are left unchanged. + + +void lineout(const char* string, int); // This is a FORTRAN function with C interface. + +void lineouts(const char* string) { // This wraps lineout so we don't need to pass the string length explicitly. + lineout(string,(int)strlen(string)); +} + +//unsigned long GetModuleFileNameA( void * hModule, char * lpFilename, unsigned long nSize); + +// For dynamic loading of python dll, we need to find the address of each function with a call +// to getprocaddress (these are stored in the global FARPROC pointers defined here). And we also +// need to know the function signature - this is a pain, because you have to explicitly (and correctly) +// set out each function here, but it is useful becuase we are not relying on Python.h. +// If the function signatures change in future python releases, loading the new DLL here might not work. +// Another advantage of a dynamic load is that we can fail gracefully if python.dll is not found and carry +// on without it. + + +#ifdef CRY_OSWIN32 + // void Py_InitializeEx ( int ) + FARPROC pInitializeExFn; + typedef void (*PINITIALIZEEXFN)( int ) ; + #define mInitializeEx(i) ((PINITIALIZEEXFN)pInitializeExFn)(i) + + //PyAPI_FUNC(void) Py_SetPythonHome(const wchar_t *); + FARPROC pSetPythonHomeFn; + typedef void (*PSETPYTHONHOME)( const wchar_t *); + + FARPROC pImport_AppendInittabFn; + typedef int (*PIMPORT_APPENDINITTAB)( const char *, PyObject *(*func)(void)); + #define mAppendInittab(c,p) ((PIMPORT_APPENDINITTAB)pImport_AppendInittabFn)(c,p) + + //PyAPI_FUNC(int) PyRun_SimpleStringFlags(const char *, PyCompilerFlags *); + FARPROC pRun_SimpleStringFlags; + typedef int (*PRUN_SIMPLESTRINGFLAGS)( const char *, PyCompilerFlags *); + #define mRunSimpleStringFlags(str,flags) ((PRUN_SIMPLESTRINGFLAGS)pRun_SimpleStringFlags)(str,flags) + + //PyAPI_FUNC(PyObject*) PyUnicode_DecodeFSDefault(const char *s); + FARPROC pUnicode_DecodeFSDefaultFn; + typedef PyObject* (*PUNICODE_DECODEFSDEFAULT)( const char *); + + //PyAPI_FUNC(PyObject *) PyImport_Import(PyObject *name); + FARPROC pImport_ImportFn; + typedef PyObject* (*PIMPORT_IMPORT)( PyObject *); + //PyAPI_FUNC(PyObject *) PyImport_ReloadModule(PyObject *name); + FARPROC pImport_ReloadModuleFn; + typedef PyObject* (*PIMPORT_RELOADMODULE)( PyObject *); + + //PyAPI_FUNC(void) PyMem_RawFree(void *ptr); + FARPROC pMem_RawFreeFn; + typedef void (*PMEM_RAWFREE)(void*); + //PyAPI_FUNC(void) PyMem_Free(void *ptr); + FARPROC pMem_FreeFn; + typedef void (*PMEM_FREE)(void*); + #define mMemFree(p) ((PMEM_FREE)pMem_FreeFn)(p) + + // PyMem_Malloc(sizeof(wchar_t*)*argc); + FARPROC pMem_MallocFn; + typedef void* (*PMEM_MALLOC)( size_t n); + #define mMem_Malloc(n) ((PMEM_MALLOC)pMem_MallocFn)(n) + + // PySys_SetArgv(int argc, wchar_t **argv); + FARPROC pSys_SetArgvFn; + typedef void (*PSYS_SETARGV)(int argc, wchar_t **argv); + #define mSys_SetArgv(c,v) ((PSYS_SETARGV)pSys_SetArgvFn)(c,v) + + + //int Py_FinalizeEx() + FARPROC pFinalizeExFn; + typedef int (*PFINALIZEEX)(); + + // PyAPI_FUNC(wchar_t *) Py_DecodeLocale(const char *arg,size_t *size); + FARPROC pDecodeLocaleFn; + typedef wchar_t* (*PDECODELOCALE)(const char *, size_t *); + #define mDecodeLocale(a,b) ((PDECODELOCALE)pDecodeLocaleFn)(a, b) + + // PyAPI_FUNC(PyObject *) PyModule_Create2(struct PyModuleDef*, int apiver); + #define PYTHON_ABI_VERSION 3 + FARPROC pModule_Create2Fn; + typedef PyObject* (*PMODULECREATE2)(PyModuleDef *, int); + #define mModuleCreate2(a,b) ((PMODULECREATE2)pModule_Create2Fn)(a, b) + + // int (*py3_PyArg_ParseTuple)(PyObject *, char *, ...); + FARPROC pArg_ParseTupleFn; + typedef int (*PARGPARSETUPLE)(PyObject *, char *, ...); + #define mArg_ParseTuple( args, s, string ) ((PARGPARSETUPLE)pArg_ParseTupleFn)(args, s, string) + #define mArg_ParseTuple4( args, s, ptype, pobj ) ((PARGPARSETUPLE)pArg_ParseTupleFn)(args, s, ptype, pobj) + + // Py_ssize_t PyList_Size(PyObject *list); + FARPROC pListSizeFn; + typedef long long int (*PLISTSIZE)(PyObject *list); + #define mList_Size( pList ) ((PLISTSIZE) pListSizeFn)( pList ) + + + //PyObject* PyList_GetItem(PyObject *list, Py_ssize_t index) + FARPROC pList_GetItemFn; + typedef PyObject* (*PLISTGETITEM)(PyObject *list, Py_ssize_t index); + #define mList_GetItem( pList, index ) ((PLISTGETITEM) pList_GetItemFn)( pList, index ) + + // (PyObject *) Py_BuildValue(const char *, ...); + FARPROC pBuildValueFn; + typedef PyObject* (*PBUILDVALUE)(const char *, ...); + #define mBuildValue(...) ((PBUILDVALUE)pBuildValueFn)(__VA_ARGS__) + + + //int PyRun_SimpleFileExFlags(FILE *fp, const char *filename, int closeit, PyCompilerFlags *flags) + FARPROC pRun_SimpleFileExFlagsFn; + typedef int (*PRUNSIMPLEFILEEXFLAGS)(FILE *fp, const char *filename, int closeit, PyCompilerFlags *flags); + #define mRunSimpleFileExFlags(fp, fn, closeit, flags) ((PRUNSIMPLEFILEEXFLAGS)pRun_SimpleFileExFlagsFn)(fp, fn, closeit, flags) + + // PyObject* PyUnicode_AsUTF8String(PyObject *unicode) + FARPROC pUnicodeAsUTF8String; + typedef PyObject* (*PUNICODEASUTF8)(PyObject*); + #define mUnicodeAsUTF8(uni) ((PUNICODEASUTF8)pUnicodeAsUTF8String)(uni) + + //char* PyBytes_AsString(PyObject *o) + FARPROC pBytesAsStringFn; + typedef char* (*PBYTESASSTRING)(PyObject*); + #define mBytesAsString(obj) ((PBYTESASSTRING)pBytesAsStringFn)(obj) + + //void Py_DecRef(PyObject *o) + FARPROC pDECREFfn; + typedef void (*PDECREF)(PyObject *o); + #define mDECREF(o) ((PDECREF)pDECREFfn)(o) + + + //FILE *file = _Py_fopen_obj(obj, "r+"); + FARPROC pfopenobjFn; + typedef FILE* (*PFOPENOBJ)(PyObject*, char*); + #define mfopenobj(obj,flags) ((PFOPENOBJ)pfopenobjFn)(obj,flags) + + //PyErr_Fetch( &pExcType , &pExcValue , &pExcTraceback ) ; + FARPROC pErrFetchFn; + typedef void (*PERRFETCH)(PyObject**,PyObject**,PyObject**); + + //void PyErr_Clear() + FARPROC pErrClearFn; + typedef void (*PERRCLEAR)(); + #define mErrClear() ((PERRCLEAR)pErrClearFn)() + + + FARPROC pErrSetStringFn = NULL; + typedef void (*PERRSETSTRING)(PyObject*, const char*); + #define mErrSetString(o,s) ((PERRSETSTRING)pErrSetStringFn)(o,s) + + //PyObject* PyList_New(Py_ssize_t len) + FARPROC pListNewFn; + typedef PyObject* (*PLISTNEW)(Py_ssize_t); + #define mListNew(leng) ((PLISTNEW)pListNewFn)(leng) + + // PyObject* PyFloat_FromDouble(double v) + FARPROC pFloatFromDoubleFn; + typedef PyObject* (*PFLOATFROMDOUBLE)(double d); + #define mFloatFromDouble(d) ((PFLOATFROMDOUBLE)pFloatFromDoubleFn)(d) + + + HMODULE hModule = NULL; +#else + + #define _MAX_PATH 1024 + + #define mInitializeEx(i) Py_InitializeEx(i) + #define mRunSimpleStringFlags(str,flags) PyRun_SimpleStringFlags(str,flags) + #define mRunSimpleFileExFlags(fp, fn, closeit, flags) PyRun_SimpleFileExFlags(fp, fn, closeit, flags) + #define mfopenobj(obj,flags) _Py_fopen_obj(obj,flags) + #define mArg_ParseTuple( args, s, string ) PyArg_ParseTuple( args, s, string ) + #define mArg_ParseTuple4( args, s, ptype, pobj ) PyArg_ParseTuple(args, s, ptype, pobj) + #define mModuleCreate2(a,b) PyModule_Create2(a,b) + #define mErrSetString(o,s) PyErr_SetString(o,s) + #define mList_Size( pList ) PyList_Size( pList ) + #define mList_GetItem( pList, index ) PyList_GetItem( pList, index ) + #define mUnicodeAsUTF8(uni) PyUnicode_AsUTF8String(uni) + #define mBytesAsString(obj) PyBytes_AsString(obj) + #define mDECREF(o) Py_DecRef(o) + #define mMemFree(p) PyMem_Free(p) + #define mErrClear() PyErr_Clear() + + + #define mAppendInittab(c,p) PyImport_AppendInittab(c,p) + #define mMem_Malloc(n) PyMem_Malloc(n) + #define mSys_SetArgv(c,v) PySys_SetArgv(c,v) + #define mDecodeLocale(a,b) Py_DecodeLocale(a, b) + #define mBuildValue(...) Py_BuildValue(__VA_ARGS__) + #define mListNew(leng) PyList_New(leng) + #define mFloatFromDouble(d) PyFloat_FromDouble(d) + + +#endif + + + PyTypeObject *ptr__List_Type = NULL; + PyObject **ptr__TypeError = NULL; + + + +bool envInit = 0; + +char scriptPath[_MAX_PATH+1]; + +int initPy(); + + +int loadPyDLL() { + + if ( envInit ) return 1; // already initialized. + +#ifdef CRY_OSWIN32 + + pInitializeExFn = NULL; + + // load the Python DLL + LPCWSTR pDllName = L"pyembed/python38.dll" ; + hModule = LoadLibraryW( pDllName ) ; + if ( hModule == NULL ) { + lineouts("{E Could not load python dll"); + return 0; + } + + // locate the Py_InitializeEx() function + pInitializeExFn = GetProcAddress( hModule , "Py_InitializeEx" ) ; + if( pInitializeExFn == NULL ) { + lineouts("{E Could not find Py_InitializeEx()"); + hModule = NULL; + return 0; + } + + // locate the Py_SetPythonHome() function + pSetPythonHomeFn = GetProcAddress( hModule , "Py_SetPythonHome" ) ; + if( pSetPythonHomeFn == NULL ) { + lineouts("{E Could not find Py_SetPythonHome()"); + hModule = NULL; + return 0; + } + + + // locate the PyImport_AppendInittab() function + pImport_AppendInittabFn = GetProcAddress( hModule , "PyImport_AppendInittab" ) ; + if( pImport_AppendInittabFn == NULL ) { + lineouts("{E Could not find PyImport_AppendInittab()"); + hModule = NULL; + return 0; + } + + // locate the PyRun_SimpleStringFlags() function + pRun_SimpleStringFlags = GetProcAddress( hModule , "PyRun_SimpleStringFlags" ) ; + if( pRun_SimpleStringFlags == NULL ) { + lineouts("{E Could not find PyRun_SimpleStringFlags()"); + hModule = NULL; + return 0; + } + + // locate the PyUnicode_DecodeFSDefault() function + pUnicode_DecodeFSDefaultFn = GetProcAddress( hModule , "PyUnicode_DecodeFSDefault" ) ; + if( pUnicode_DecodeFSDefaultFn == NULL ) { + lineouts("{E Could not find PyUnicode_DecodeFSDefault()"); + hModule = NULL; + return 0; + } + // locate PyImport_Import() function + pImport_ImportFn = GetProcAddress( hModule , "PyImport_Import" ) ; + if( pImport_ImportFn == NULL ) { + lineouts("{E Could not find PyImport_Import()"); + hModule = NULL; + return 0; + } + // locate PyImport_ReloadModule() function + pImport_ReloadModuleFn = GetProcAddress( hModule , "PyImport_ReloadModule" ) ; + if( pImport_ReloadModuleFn == NULL ) { + lineouts("{E Could not find PyImport_ReloadModule()"); + hModule = NULL; + return 0; + } + // locate PyMem_RawFree() function + pMem_RawFreeFn = GetProcAddress(hModule, "PyMem_RawFree"); + if (pMem_RawFreeFn == NULL) { + lineouts("{E Could not find PyMem_RawFree()"); + hModule = NULL; + return 0; + } + // locate PyMem_Free() function + pMem_FreeFn = GetProcAddress(hModule, "PyMem_Free"); + if (pMem_FreeFn == NULL) { + lineouts("{E Could not find PyMem_Free()"); + hModule = NULL; + return 0; + } + // locate int Py_FinalizeEx() function + pFinalizeExFn = GetProcAddress( hModule , "Py_FinalizeEx" ) ; + if( pFinalizeExFn == NULL ) { + lineouts("{E Could not find Py_FinalizeEx()"); + hModule = NULL; + return 0; + } + + // locate int Py_DecodeLocale() function + pDecodeLocaleFn = GetProcAddress( hModule , "Py_DecodeLocale" ) ; + if( pDecodeLocaleFn == NULL ) { + lineouts("{E Could not find Py_DecodeLocale()"); + hModule = NULL; + return 0; + } + + + // PyUnicode_AsUTF8String + pUnicodeAsUTF8String = GetProcAddress( hModule, "PyUnicode_AsUTF8String" ); + if ( pUnicodeAsUTF8String == NULL ) { + lineouts("{E Could not find PyUnicode_AsUTF8String()"); + hModule = NULL; + return 0; + } + + // PyBytes_AsString + pBytesAsStringFn = GetProcAddress( hModule, "PyBytes_AsString" ); + if ( pBytesAsStringFn == NULL ) { + lineouts("{E Could not find PyBytes_AsString()"); + hModule = NULL; + return 0; + } + + // locate int PyList_Size() function + pListSizeFn = GetProcAddress( hModule , "PyList_Size" ) ; + if( pListSizeFn == NULL ) { + lineouts("{E Could not find PyList_Size()"); + hModule = NULL; + return 0; + } + + // locate int PyList_Size() function + pList_GetItemFn = GetProcAddress( hModule , "PyList_GetItem" ) ; + if( pList_GetItemFn == NULL ) { + lineouts("{E Could not find PyList_GetItem()"); + hModule = NULL; + return 0; + } + + //void Py_DecRef(PyObject *o) + pDECREFfn = GetProcAddress( hModule, "Py_DecRef" ); + typedef void (*PDECREF)(PyObject *o); + if( pDECREFfn == NULL ) { + lineouts("{E Could not find Py_DecRef()"); + hModule = NULL; + return 0; + } + + + // locate int PyModule_Create2() function + pModule_Create2Fn = GetProcAddress( hModule , "PyModule_Create2" ) ; + if( pModule_Create2Fn == NULL ) { + lineouts("{E Could not find PyModule_Create2()"); + hModule = NULL; + return 0; + } + + // locate PyArg_ParseTuple() function + pArg_ParseTupleFn = GetProcAddress( hModule , "PyArg_ParseTuple" ) ; + if( pArg_ParseTupleFn == NULL ) { + lineouts("{E Could not find PyArg_ParseTuple()"); + hModule = NULL; + return 0; + } + + // locate Py_BuildValue() function + pBuildValueFn = GetProcAddress( hModule , "Py_BuildValue" ) ; + if( pBuildValueFn == NULL ) { + lineouts("{E Could not find Py_BuildValue()"); + hModule = NULL; + return 0; + } + + + // locate Py_BuildValue() function + pRun_SimpleFileExFlagsFn = GetProcAddress( hModule , "PyRun_SimpleFileExFlags" ) ; + if( pRun_SimpleFileExFlagsFn == NULL ) { + lineouts("{E Could not find PyRun_SimpleFileExFlags()"); + hModule = NULL; + return 0; + } + + // locate _Py_fopen_obj() function + pfopenobjFn = GetProcAddress( hModule , "_Py_fopen_obj" ) ; + if( pfopenobjFn == NULL ) { + lineouts("{E Could not find _Py_fopen_obj()"); + hModule = NULL; + return 0; + } + + + // locate PyErr_Fetch() function + pErrFetchFn = GetProcAddress( hModule , "PyErr_Fetch" ) ; + if( pErrFetchFn == NULL ) { + lineouts("{E Could not find PyErr_Fetch()"); + hModule = NULL; + return 0; + } + + // locate PyErr_SetString() function + pErrSetStringFn = GetProcAddress( hModule , "PyErr_SetString" ) ; + if( pErrSetStringFn == NULL ) { + lineouts("{E Could not find PyErr_SetString()"); + hModule = NULL; + return 0; + } + + // locate PyErr_Clear() function + pErrClearFn = GetProcAddress( hModule , "PyErr_Clear" ) ; + if( pErrClearFn == NULL ) { + lineouts("{E Could not find PyErr_Clear()"); + hModule = NULL; + return 0; + } + + //pSys_SetArgv + pSys_SetArgvFn = GetProcAddress( hModule , "PySys_SetArgv" ) ; + if( pSys_SetArgvFn == NULL ) { + lineouts("{E Could not find PySys_SetArgv()"); + hModule = NULL; + return 0; + } + + // PyList_New + pListNewFn = GetProcAddress( hModule , "PyList_New" ) ; + if( pListNewFn == NULL ) { + lineouts("{E Could not find PyList_New()"); + hModule = NULL; + return 0; + } + + // PyFloat_FromDouble + pFloatFromDoubleFn = GetProcAddress( hModule , "PyFloat_FromDouble" ) ; + if( pFloatFromDoubleFn == NULL ) { + lineouts("{E Could not find PyFloat_FromDouble()"); + hModule = NULL; + return 0; + } + + + //PyMem_Malloc + pMem_MallocFn= GetProcAddress( hModule , "PyMem_Malloc" ) ; + if( pMem_MallocFn == NULL ) { + lineouts("{E Could not find PyMem_Malloc()"); + hModule = NULL; + return 0; + } + + + ptr__List_Type = (PyTypeObject*) GetProcAddress( hModule, "PyList_Type" ); + if( ptr__List_Type == NULL ) { + lineouts("{E Could not find PyList_Type"); + hModule = NULL; + return 0; + } + + ptr__TypeError = (PyObject**) GetProcAddress( hModule, "PyExc_TypeError" ); + if( ptr__TypeError == NULL ) { + lineouts("{E Could not find PyExc_TypeError"); + hModule = NULL; + return 0; + } + +#endif + + envInit = 1; //Everything is initialized. Don't init again. + + initPy(); + + return 1; +} + + + +// This python module, "crys_stdoutRedirect", implemented in C will be used later to redirect text +// output from the interpreter while it is running. Text should end up on the +// screen in CRYSTALS. +// Solution discussed here: https://stackoverflow.com/questions/7935975/asynchronously-redirect-stdout-stdin-from-embedded-python-to-c +// and updates required for Python 3 here: +// https://stackoverflow.com/questions/28305731/compiler-cant-find-py-initmodule-is-it-deprecated-and-if-so-what-should-i + + +//int initt = ((PIMPORT_APPENDINITTAB)pImport_AppendInittabFn)("crys_stdoutRedirect", PyInit_crys_stdoutRedirect); +// This defines a function (and it's form) to do the work: +// Takes one arg and returns nothing. + + +static PyObject* +redirection_stdoutredirect(PyObject *self, PyObject *args) +{ + const char *string; + char s[] = "s"; + + if(!mArg_ParseTuple(args, s, &string)) + return NULL; + +//pass string onto somewhere + lineouts(string); + +#ifdef CRY_OSWIN32 + return mBuildValue("O", mBuildValue("")); // Inc ref to PyNone (without using INCREF macro which won't work here becuase of dynamic LoadLibrary +#else + Py_INCREF(Py_None); // Can't call this macro when using the dynamic DLL version - use solution below instead. + return Py_None; +#endif + +} + +static PyMethodDef RedirectionMethods[] = { + {"crys_stdoutredirect", redirection_stdoutredirect, METH_VARARGS, + "stdout redirection helper"}, + {NULL, NULL, 0, NULL} +}; + +static struct PyModuleDef crys_stdoutRedirect = +{ + PyModuleDef_HEAD_INIT, + "crys_stdoutRedirect", /* name of module */ + "", /* module documentation, may be NULL */ + -1, /* size of per-interpreter state of the module, or -1 if the module keeps state in global variables. */ + RedirectionMethods +}; + +PyObject * PyInit_crys_stdoutRedirect(void) +{ + return mModuleCreate2(&crys_stdoutRedirect, PYTHON_ABI_VERSION); +} + +// Here's another Python module for sending commands to CRYSTALS. + + +static PyObject* +method_crys_run(PyObject *self, PyObject *args) +{ + PyObject *pyList; + PyObject *pyItem; + PyObject *pyString; + Py_ssize_t list_size; + int i; + + if (!mArg_ParseTuple4(args, "O!", ptr__List_Type, &pyList)) { +// lineouts("1.1"); + mErrSetString(*ptr__TypeError, "first argument must be a list."); +// lineouts("1.2"); + return NULL; + } + + list_size = mList_Size(pyList); + + for (i=0; i +#include + +std::deque commands; + + + + + + + + +void setcommand(char *commandline){ + commands.push_back( std::string(commandline) ); +} + +// Copy next string into commandline buffer, return 0 for OK, < 0 for error. +// Request past end of commands causes a longjmp back to start point (out of CRYSTALS) +void cxxgetcommand(int length, char *commandline) +{ + if ( commands.size() > 0 ) + { + std::string s = commands.front(); + commands.pop_front(); + + int commandlen = (int)s.length(); + int outputlen = (length < commandlen) ? length : commandlen; //Minimum of the two string lengths (truncate) + +// Remember: char * strncpy ( char * destination, const char * source, size_t num ); + + strncpy(commandline, (char*)s.c_str(), outputlen ); + //PAD + for (int j = commandlen; j0) then ! CLCNAM=CLCNAM(1:iposition-1)//'crfilev2.dsc'// ! 1 CLCNAM(iposition+6:len_trim(clcnam)) !! end if - - + if(hdf5_in_use) then iposition=index(CLCNAM, '.dsc') if(iposition==0) iposition=index(CLCNAM, '.DSC') @@ -691,10 +689,10 @@ FUNCTION KDAOPN ( IDUNIT , CFNAME , IFSTAT , IFMODE ) CLCNAM(iposition:iposition+3)='.h5 ' end if end if - + ! check if an 'old' file do exist, otherwise open it as 'new' ! only if the file is "create if not exist" - if (trim(CLCNAM)/='' .and. FLSTAT(IFSTAT)=='CIF') then + if (trim(CLCNAM)/='' .and. FLSTAT(IFSTAT)=='CIF') then inquire(file=trim(CLCNAM), exist=lexist) if(.not. lexist) then ACSTAT = FLSTAT(ISSNEW) @@ -711,7 +709,7 @@ FUNCTION KDAOPN ( IDUNIT , CFNAME , IFSTAT , IFMODE ) !if(ios/=0) then ! print *, 'Error in hdf5_dsc_open' !end if - else + else OPEN ( UNIT = IDUNIT , 1 FILE = CLCNAM , 1 ACTION = faction, @@ -721,16 +719,16 @@ FUNCTION KDAOPN ( IDUNIT , CFNAME , IFSTAT , IFMODE ) 1 RECL = ISSDAR*recordsize , 1 IOSTAT = IOS ) end if - + ENDIF IF (IOS/=0) then !GOTO 3000 c3000 CONTINUE C -C -- OPEN FAILED -- +C -- OPEN FAILED -- C KDAOPN = ISIGN ( IOS , -1 ) - RETURN + RETURN end if C -- SUCCESS @@ -741,7 +739,7 @@ FUNCTION KDAOPN ( IDUNIT , CFNAME , IFSTAT , IFMODE ) !print *, 'init ', acstat call XDAINI(IDUNIT) end if - + KDAOPN = 1 END function C @@ -759,7 +757,7 @@ FUNCTION KFLCLS ( IUNIT ) integer error type(t_dsc_hdf5), pointer :: crfile - + C call hdf5_dic_get(crfile, IUNIT, error) @@ -775,7 +773,7 @@ FUNCTION KFLCLS ( IUNIT ) 2000 CONTINUE else - call hdf5_dsc_close(crfile, error) + call hdf5_dsc_close(crfile, error) end if C KFLCLS = 1 @@ -817,7 +815,7 @@ SUBROUTINE XFLUNW ( IFUNC , IMSG ) C IF ( IFUNC .EQ. 1 ) THEN ILSTLV = 1 -#ifdef _PRI_ +#ifdef _PRI_ ISSSTA = 0 #endif ELSE IF ( IFUNC .EQ. 2 ) THEN @@ -927,7 +925,7 @@ SUBROUTINE XWHIZZ (CTEXT, J) INCLUDE 'XUNITS.INC' INCLUDE 'XDRIVE.INC' INCLUDE 'XIOBUF.INC' -#ifdef __MAC__ +#ifdef __MAC__ DATA CLOCK / '|', '/', '-', '\\' / #else DATA CLOCK / '|', '/', '-', '\' / @@ -988,8 +986,8 @@ SUBROUTINE XDAEND ( IUNIT , LAST ) INCLUDE 'XUNITS.INC' INCLUDE 'XSSVAL.INC' INCLUDE 'XERVAL.INC' - - type(t_dsc_hdf5), pointer :: crfile + + type(t_dsc_hdf5), pointer :: crfile integer error C C @@ -1041,7 +1039,7 @@ FUNCTION KPATH( CPATH) C CHARACTER*(*) CPATH CHARACTER*256 CNAME -#ifdef _WIN32 +#ifdef _WIN32 character(len=2), parameter :: delimiter = '/\' #else character, parameter :: delimiter = '/' @@ -1053,7 +1051,7 @@ FUNCTION KPATH( CPATH) C KPATH = 0 CPATH = ' ' - + IF (KFLNAM( NCDFU, CNAME) .GT. 0) THEN KPATH = scan(cname, delimiter, .true.) if(kpath>0) then @@ -1187,7 +1185,7 @@ SUBROUTINE MTIME(RTIME) C PRODUCED AFTER THE COMPLETION OF EACH FACILITY WHICH SHOW THE C PROCESSOR TIME USED SO FAR. A PATCH WOULD BE C TO ALWAYS RETURN THE VALUE 0.0 FROM THIS ROUTINE -C THE VARIABLE 'ISSTIM' IN THE +C THE VARIABLE 'ISSTIM' IN THE C COMMON BLOCK 'XSSVAL' CAN BE USED TO DISABLE THESE MESSAGES. C #ifdef CRY_FORTDIGITAL @@ -1208,7 +1206,7 @@ SUBROUTINE JTIME ( I ) implicit none integer, intent(out) :: i integer, dimension(8) :: values - + call date_and_time(values=values) I=values(5)*3600+values(6)*60+values(7) END @@ -1241,7 +1239,7 @@ SUBROUTINE XTIMER ( CTIME2 ) CTIME2=' ' RETURN END IF - + CALL date_and_time(values=ITIM) WRITE ( CTIME2, '(I2.2,'':'',I2.2,'':'',I2.2)' ) ITIM(5:7) END @@ -1263,7 +1261,7 @@ SUBROUTINE XDATER ( CDATE ) C CHARACTER*8 CDATE DIMENSION IDAT(8) - + IF ( ISSTIM .EQ. 2 ) THEN CDATE = ' ' RETURN @@ -1290,19 +1288,19 @@ FUNCTION KAND ( I , J ) KAND = IAND ( I , J ) END C -CODE FOR XMOVE +CODE FOR XMOVE SUBROUTINE XMOVE ( SRCE , RESLT , N ) !DIR$ OPTIMIZE:2 C This intel compiler hint prevents temp being optimized out. implicit none C C -- MOVES REALS FROM 'SRCE' -C TO 'RESLT' +C TO 'RESLT' C -C SRCE and RESLT are actually part of the same memory space +C SRCE and RESLT are actually part of the same memory space C through equivalence so the use of a temporary variable is compulsory integer, intent(in) :: N - real, dimension(N), intent(in) :: SRCE + real, dimension(N), intent(in) :: SRCE real, dimension(N), intent(out) :: RESLT real, dimension(N) :: temp integer i @@ -1319,12 +1317,12 @@ SUBROUTINE XMOVEI ( ISRCE , IRESLT , N ) implicit none C C -- MOVES INTEGERS FROM 'ISRCE' -C TO 'IRESLT' +C TO 'IRESLT' C -C ISRCE and IRESLT are actually part of the same memory space +C ISRCE and IRESLT are actually part of the same memory space C through equivalence so the use of a temporary variable is compulsory integer, intent(in) :: N - integer, dimension(N), intent(in) :: ISRCE + integer, dimension(N), intent(in) :: ISRCE integer, dimension(N), intent(out) :: IRESLT integer, dimension(N) :: temp integer i @@ -1483,13 +1481,13 @@ SUBROUTINE XDETCH ( COMMND ) #if defined(CRY_GUI) CALL GDETCH(COMMND) RETURN -#elif defined(__INW__) +#elif defined(__INW__) C for cl version, we must remove + or % symbol if present (has no meaning). - IPC = INDEX ( COMMND, '% ' ) + IPC = INDEX ( COMMND, '% ' ) IF (IPC .GT. 0) THEN COMMND(IPC:IPC+1) = ' ' END IF - IPC = INDEX ( COMMND, '+ ' ) + IPC = INDEX ( COMMND, '+ ' ) IF (IPC .GT. 0) THEN COMMND(IPC:IPC+1) = ' ' END IF @@ -1497,11 +1495,11 @@ SUBROUTINE XDETCH ( COMMND ) IF (IFAIL .EQ. 0 ) RETURN #elif defined(__LIN__) || defined (__MIN__) C for cl version, we must remove + or % symbol if present (has no meaning). - IPC = INDEX ( COMMND, '% ' ) + IPC = INDEX ( COMMND, '% ' ) IF (IPC .GT. 0) THEN COMMND(IPC:IPC+1) = ' ' END IF - IPC = INDEX ( COMMND, '+ ' ) + IPC = INDEX ( COMMND, '+ ' ) IF (IPC .GT. 0) THEN COMMND(IPC:IPC+1) = ' ' END IF @@ -1644,7 +1642,7 @@ SUBROUTINE XMENUR (CPRMPT, MENPMT, CLINPB, LENLIN, CLSTNM = CSCPNM(1:LENNM) cdjwjun07 - IF (ISSPRT .EQ. 0) WRITE ( NCWU , '(a,a)' ) + IF (ISSPRT .EQ. 0) WRITE ( NCWU , '(a,a)' ) 1 'Testing',cscpnm(1:lennm) IF ( CPRVNM(1:3) .NE. CSPACE(1:3) ) THEN WRITE(CMON(1),'(5A)') @@ -1796,7 +1794,7 @@ SUBROUTINE MTRNLG(FILNAM,STATUS,LENNAM) INCLUDE 'XOPVAL.INC' INCLUDE 'XERVAL.INC' INCLUDE 'XIOBUF.INC' - + C C NOW WE SEARCH FOR THE LENGTH OF OUR FILE NAME AND REMOVE BLANKS. C @@ -1824,7 +1822,7 @@ SUBROUTINE MTRNLG(FILNAM,STATUS,LENNAM) C Check for http: links. CALL XCCUPC(NAME(1),INQNAM) IF ( INQNAM(1:5) .EQ. 'HTTP:' ) GOTO 9999 !No need to subst variables. - + C CHECK ON FILE NAME NAMLEN OVERFLOW @@ -1862,7 +1860,7 @@ SUBROUTINE MTRNLG(FILNAM,STATUS,LENNAM) C MAY20: Don't change leading slashes - could be command switch #ifdef CRY_OSWIN32 LSPACE = .TRUE. - DO I = 1, LEN(NAME(LEVEL)) + DO I = 1, LEN(NAME(LEVEL)) IF ( ( .NOT. LSPACE ) .AND. ( NAME(LEVEL)(I:I) .EQ. '/' )) THEN NAME(LEVEL)(I:I) = '\' END IF @@ -1874,7 +1872,7 @@ SUBROUTINE MTRNLG(FILNAM,STATUS,LENNAM) c WRITE(126,*) 'Looking for :', NAME(LEVEL)(1:NAMLEN(LEVEL)) C TEST IF SOMETHING CAN BE DONE - IF(COLPOS(LEVEL).LT.3) THEN + IF(COLPOS(LEVEL).LT.3) THEN c WRITE(126,*)'Inquiring: ',NAME(LEVEL)(1:NAMLEN(LEVEL)) @@ -1893,11 +1891,11 @@ SUBROUTINE MTRNLG(FILNAM,STATUS,LENNAM) INQUIRE(FILE=INQNAM,EXIST=LEXIST, iostat=iotest) c write(126,*) 'File test ', LEXIST, IOTEST, INQNAM if( (iotest .eq. 0) .and. (LEXIST)) GOTO 9999 -#ifdef __INW__ +#ifdef __INW__ INQUIRE(DIRECTORY=INQNAM,EXIST=LEXIST, iostat=iotest) c write(126,*) 'Dir test ', LEXIST, IOTEST, INQNAM if( (iotest .eq. 0) .and. (LEXIST)) GOTO 9999 -#endif +#endif LEVEL=LEVEL-1 IF(LEVEL.GE.1) GOTO 3 LEVEL=1 @@ -1912,7 +1910,7 @@ SUBROUTINE MTRNLG(FILNAM,STATUS,LENNAM) LIST(LEVEL) = ' ' #if defined (CRY_FORTDIGITAL) CALL GETENV(NAME(LEVEL)(1:COLPOS(LEVEL)-1),LIST(LEVEL)) -#else +#else call GET_ENVIRONMENT_VARIABLE(NAME(LEVEL)(1:COLPOS(LEVEL)-1), & LIST(LEVEL)) #endif @@ -1923,7 +1921,7 @@ SUBROUTINE MTRNLG(FILNAM,STATUS,LENNAM) ELSE IF (NAME(LEVEL)(1:COLPOS(LEVEL)-1) .EQ. 'CRSCP') THEN LIST(LEVEL) = CSCPDV(1:LSCPDV) ELSE IF (NAME(LEVEL)(1:COLPOS(LEVEL)-1) .EQ. 'CRDIR') THEN -#ifdef CRY_OSWIN32 +#ifdef CRY_OSWIN32 LIST(LEVEL) = '.\' #else LIST(LEVEL) = './' @@ -2040,7 +2038,7 @@ FUNCTION KSTRLN(STRING) KSTRLN=J RETURN END -C +C CODE FOR FRAND real function frand() c------ returns a value between 0 and 1 from the compiler library's @@ -2048,7 +2046,7 @@ real function frand() call random_number(frand) end - + CODE FOR XRAND real FUNCTION XRAND(REQVAR, ISEED) C------ RETURNS A VALUE DISTRIBUTED ABOUT ZERO FROM A DISTRIBUTION @@ -2079,10 +2077,10 @@ real FUNCTION XRAND(REQVAR, ISEED) end do call random_seed(put= seeds ) ENDIF - + ENDIF - - + + IF (ISET .EQ. 0) THEN 1 V1 = 2. * FRAND() -1. V2 = 2. * FRAND() -1. @@ -2126,8 +2124,8 @@ SUBROUTINE XWININ(IN) c ENDIF RETURN END - - + + ccode for dumio (keep the program going while we test it) @@ -2235,7 +2233,7 @@ SUBROUTINE XWININ(IN) c&DOS IF (CIOBUF(I:I) .EQ. CCRCHR(1:1)) THEN c&DOS K = MAX(J,I-1) c&DOS WRITE ( NCAWU , CFRMAT, IOSTAT = IOS ) CIOBUF(J:K) -c&DOS IF ( IOS .NE. 0 ) WRITE ( NCEROR , '(1X,A,I4)' ) +c&DOS IF ( IOS .NE. 0 ) WRITE ( NCEROR , '(1X,A,I4)' ) c&DOS 1 '*** OUTPUT ERROR! IOS = ',IOS c&DOS J = K + 3 c&DOS IF (J .LT. IBFLEN ) GOTO 100 @@ -2273,7 +2271,7 @@ SUBROUTINE FBCINI C C---- SET CARRIAGE CONTROL SYMBOLS C -#ifdef _UNIX_ +#ifdef _UNIX_ CCRCHR(1:1) = CHAR(32) CCRCHR(2:2) = CHAR(10) C @@ -2378,9 +2376,9 @@ SUBROUTINE XPRTMON(NLIN) DO I=1,NLIN c write(ncawu,*)'ISSMON in prtmon=',issmon, CCVDU(I)(1:3) c Found some lines begining with space, so ^^ are in 2:3, not 1:2) - IF((CCVDU(I)(2:2).EQ.'^').AND.(ISSMON.NE.1)) THEN + IF((CCVDU(I)(2:2).EQ.'^').AND.(ISSMON.NE.1)) THEN CONTINUE - ELSE + ELSE IF(CCVDU(I)(1:1).EQ.'{' )THEN WRITE(NCAWU,'(A)') TRIM(CCVDU(I)(3:)) ELSE @@ -2431,7 +2429,7 @@ SUBROUTINE XPRTDV(NCDEV, CBUF, LINBUF, NLINES) CSECOND = CBUF(J)(2:2) CLAST = CBUF(J)(N:N) C -C IF ISSMON .EQ. 2 THEN SUPPRESS MOST TEXT OUTPUT. WE NEED TO +C IF ISSMON .EQ. 2 THEN SUPPRESS MOST TEXT OUTPUT. WE NEED TO C SWITCH IT BACK ON IF SOMETHING HAS GONE WRONG. C Mostly done by resetting issmon before an ABANDON message c in individual files. @@ -2464,12 +2462,12 @@ SUBROUTINE XPRTDV(NCDEV, CBUF, LINBUF, NLINES) IF (CBUF(J)(2:2).NE.'^') THEN IF ((IOFORE.EQ.-1).OR.(IOBACK.EQ.-1)) THEN WRITE( CEXTRA,'(A)') CBUF(J) - ELSE + ELSE WRITE( CEXTRA,'(2(A,I2.2),A)') 1 '{', IOFORE, ',', IOBACK, CBUF(J) N = N + 6 - ENDIF - ELSE + ENDIF + ELSE WRITE( CEXTRA,'(A)') CBUF(J) !Line not limited (^^ command) END IF #endif @@ -2499,7 +2497,7 @@ SUBROUTINE XPRTDV(NCDEV, CBUF, LINBUF, NLINES) CFRMAT = '(/,A)' #ifdef CRY_NOGUI WRITE(NCDEV ,CFRMAT) CBUF(J)(1:LENBUF) -#else +#else CALL fcallc ( CEXTRA(1:N)) #endif ELSE @@ -2527,14 +2525,14 @@ SUBROUTINE GDETCH(CLINE) CHARACTER*262 CEXTRA INTEGER RET, ISTAT integer, external :: FWEXEC - + CEXTRA = ' ' WRITE(CEXTRA,'(A)')CLINE RET = FWEXEC ( CEXTRA//CHAR(0) ) C Move return value into the script value EXITSTATUS ISTAT = KSCTRN ( 1 , "EXITSTATUS" , RET, 1 ) - + RETURN END #endif @@ -2543,10 +2541,10 @@ SUBROUTINE GDETCH(CLINE) CODE FOR GETCWD SUBROUTINE GETCWD ( CWORK ) -#ifdef CRY_FORTDIGITAL +#ifdef CRY_FORTDIGITAL USE DFPORT #endif -#ifdef CRY_FORTINTEL +#ifdef CRY_FORTINTEL USE IFPORT #endif CHARACTER*(*) CWORK @@ -2580,7 +2578,7 @@ SUBROUTINE XNDATE(ISECS) USE DFPORT #endif #ifdef CRY_FORTINTEL - USE IFPORT + USE IFPORT #endif C--SET THE # SECS SINCE 1970 IN ISECS ISECS = TIME() @@ -2589,10 +2587,10 @@ SUBROUTINE XNDATE(ISECS) CODE FOR XCDATE SUBROUTINE XCDATE(ISECS,CT) -#ifdef CRY_FORTDIGITAL +#ifdef CRY_FORTDIGITAL USE DFPORT #endif -#ifdef CRY_FORTINTEL +#ifdef CRY_FORTINTEL USE IFPORT #endif C--CONVERT SECS SINCE 1970 INTO 24CHAR STRING @@ -2629,7 +2627,7 @@ end subroutine cry_mkdir #else IMPLICIT NONE #endif - CHARACTER*(*) FILEPATH + CHARACTER*(*) FILEPATH CHARACTER*1024 WORKPATH CHARACTER*1024 CMDLINE !Allow space for quite long paths CHARACTER*256 DIRTEST !Allow for quite long directory names @@ -2654,10 +2652,10 @@ end subroutine cry_mkdir c write(129,*) 'Dirtest is ', NPOS, ' ', DIRTEST #ifdef CRY_FORTINTEL - INQUIRE( DIRECTORY=DIRTEST, EXIST=LEXISTS ) -#else - INQUIRE( FILE=TRIM(DIRTEST)//'/.', EXIST=LEXISTS ) -#endif + INQUIRE( DIRECTORY=DIRTEST, EXIST=LEXISTS ) +#else + INQUIRE( FILE=TRIM(DIRTEST)//'/.', EXIST=LEXISTS ) +#endif IF ( .NOT. LEXISTS ) THEN c write(129,*)'Directory does not exist, creating: '//DIRTEST #ifdef CRY_FORTINTEL @@ -2678,4 +2676,34 @@ end subroutine cry_mkdir IF ( ICOUNT .GT. 10 ) EXIT ! Debugging - avoid infinity loop END DO RETURN - END + END + + + subroutine lineout(message, mlen) bind(C, name="lineout") + use, intrinsic :: ISO_C_BINDING + integer(C_INT), intent(IN), VALUE :: mlen + character(kind = c_char) :: message(*) + character(len=200) normal_string + INCLUDE 'XIOBUF.INC' + +c if ( mlen == 0 ) return + + +c E.g. mlen = 50; ioff=0; iend=50; irend = 50 +c E.g. mlen = 225; (a) ioff=0; iend=200; irend=200 +c (b) ioff=200; iend=225; irend=25 + + do j = 1, mlen, 200 + normal_string = ' ' + ioff = j-1 + iend = min(ioff+200, mlen) + irend = iend - ioff + do i = 1, irend + normal_string(i:i) = message(i+ioff) + end do + + WRITE (CMON,'(A)') normal_string(1:nctrim(normal_string)) + CALL XPRVDU (6,1,0) + end do + RETURN + END diff --git a/datafiles/CMakeLists.txt b/datafiles/CMakeLists.txt index d6fddbf41..389c24633 100644 --- a/datafiles/CMakeLists.txt +++ b/datafiles/CMakeLists.txt @@ -1,7 +1,6 @@ -SET(CMAKE_BUILD_TYPE Release) -CMAKE_MINIMUM_REQUIRED(VERSION 2.8) +CMAKE_MINIMUM_REQUIRED(VERSION 3.0) PROJECT(Data) # SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/..) @@ -62,3 +61,30 @@ if(useHDF5) endif () +get_target_property(_if_compile_defs CrystalsDefines INTERFACE_COMPILE_DEFINITIONS) +set(defstring) +foreach(_def ${_if_compile_defs}) + list( APPEND defstring -D${_def}) +endforeach() + + +set (CRYHOST "${CMAKE_SYSTEM_NAME}") + +# Data file sources and targets +# Note that srt files end up in the main directory (above this one). + +FILE (GLOB ssrfiles RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}" "${CMAKE_CURRENT_SOURCE_DIR}/*.ssr") +SET (srtfiles) +FOREACH (_file ${ssrfiles}) + STRING(REPLACE ".ssr" ".srt" file_srt ${_file}) + SET( arguments -ds -w -imacros ${CMAKE_SOURCE_DIR}/gui/crystalsinterface.h -o ${CMAKE_BINARY_DIR}/${file_srt} -DCRYARCH=${CRYARCH} -DCRYHOST=${CRYHOST} -DCRYSVNVER=${CRYSVNVER} -DCRYVERSUM=${CRYVERSUM} -DCRYMONTH=${CRYMONTH} -DCRYYEAR=${CRYYEAR} ) + list(APPEND arguments ${defstring}) + ADD_CUSTOM_COMMAND( OUTPUT ${CMAKE_BINARY_DIR}/${file_srt} + COMMAND ${PERL_EXECUTABLE} ${CMAKE_SOURCE_DIR}/editor/filepp.pl ${arguments} ${CMAKE_CURRENT_SOURCE_DIR}/${_file} + DEPENDS ${CMAKE_CURRENT_SOURCE_DIR}/${_file} + COMMENT "${PERL_EXECUTABLE} ${CMAKE_SOURCE_DIR}/editor/filepp.pl ${arguments} ${CMAKE_CURRENT_SOURCE_DIR}/${_file}") + LIST(APPEND srtfiles ${CMAKE_BINARY_DIR}/${file_srt}) +ENDFOREACH() + +add_library(CrystalsData INTERFACE ${srtfiles}) +target_link_libraries(CrystalsData INTERFACE CrystalsDefines) diff --git a/gui/CMakeLists.txt b/gui/CMakeLists.txt index 90c9699b4..8686f9c35 100644 --- a/gui/CMakeLists.txt +++ b/gui/CMakeLists.txt @@ -1,44 +1,15 @@ -add_definitions(-D_FILE_OFFSET_BITS=64) - -if(APPLE) -SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) -IF(CMAKE_BUILD_TYPE MATCHES Debug) - SET(CMAKE_OSX_ARCHITECTURES "x86_64" ) - message("debug mode - only building x86_64") -ENDIF(CMAKE_BUILD_TYPE MATCHES Debug) - -#SET(CMAKE_OSX_DEPLOYMENT_TARGET "10.7") -#SET(CMAKE_OSX_SYSROOT "/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX10.8.sdk") - -#add_definitions("-DMACOSX_DEPLOYMENT_TARGET=10.7") -#add_definitions("-std=gnu++11") -#add_definitions("-mmacosx-version-min=10.7") -#add_definitions("-isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX10.7.sdk") -#set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -stdlib=libc++") -ENDIF(APPLE) - if (WIN32) FIND_PACKAGE(wxWidgets REQUIRED html scintilla stc adv core gl base) else () FIND_PACKAGE(wxWidgets REQUIRED html stc adv core gl base) endif () -INCLUDE(${wxWidgets_USE_FILE}) - -IF(CMAKE_BUILD_TYPE MATCHES Debug) - add_definitions("-D__CRDEBUG__") - add_definitions("-DCRY_DEBUG") -ENDIF(CMAKE_BUILD_TYPE MATCHES Debug) +INCLUDE(${wxWidgets_USE_FILE}) -#-s -fexceptions -I/usr/local/include `wx-config --cppflags` -D_GNUF77_ -# -framework IOKit -framework Carbon -framework Cocoa -framework AudioToolbox -framework -# System -framework OpenGL -lwx_osx_cocoau_xrc-2.9 -lwx_osx_cocoau_webview-2.9 - -# lwx_osx_cocoau_html-2.9 -lwx_osx_cocoau_qa-2.9 -lwx_osx_cocoau_adv-2.9 -# -lwx_osx_cocoau_core-2.9 -lwx_baseu_xml-2.9 -lwx_baseu_net-2.9 -lwx_baseu-2.9 -add_library(CrystalsUserInterface OBJECT +add_library(CrystalsUserInterface STATIC startupdialog.cpp ccchartcolour.cpp ccchartdoc.cpp @@ -127,4 +98,14 @@ stdafx.cpp crslider.cpp cxslider.cpp ) +target_link_libraries(CrystalsUserInterface PUBLIC CrystalsDefines ) +target_link_libraries(CrystalsUserInterface INTERFACE ${wxWidgets_LIBRARIES}) + +target_compile_definitions(CrystalsUserInterface PRIVATE "$<$:__CRDEBUG__>") +target_compile_definitions(CrystalsUserInterface PRIVATE "$<$:CRY_DEBUG>") + +target_compile_definitions(CrystalsUserInterface PRIVATE WXUSINGDLL) +target_compile_definitions(CrystalsUserInterface PUBLIC CRY_USEWX) + +target_compile_definitions(CrystalsUserInterface PRIVATE FILE_OFFSET_BITS=64) diff --git a/gui/fwrapper_gui.F90 b/gui/fwrapper_gui.F90 index 916daf45c..e14f5c05f 100644 --- a/gui/fwrapper_gui.F90 +++ b/gui/fwrapper_gui.F90 @@ -130,6 +130,17 @@ subroutine cinextcommand (istat, caline) end subroutine cinextcommand end interface +!> interface to C function getcommand (digital compiler) +interface + subroutine getcommand (length, caline) + !dec$ attributes c :: getcommand + integer length + character*256 caline + !dec$ attributes reference :: caline + end subroutine getcommand +end interface + + !> interface to C function ciendthread (digital compiler) !! Unkwown function interface @@ -416,6 +427,18 @@ end subroutine cinextcommand end interface +!> interface to C function getcommand (iso_c_bindings) +interface + subroutine getcommand (length,caline) bind(c) + use, intrinsic :: ISO_C_BINDING + implicit none + integer, value :: length + character caline + end subroutine getcommand +end interface + + + interface !> interface to C function ciendthread (iso_c_bindings) !! Unkwown function diff --git a/pFunit/CMakeLists.txt b/pFunit/CMakeLists.txt index 2fae0ca93..f33b82212 100644 --- a/pFunit/CMakeLists.txt +++ b/pFunit/CMakeLists.txt @@ -1,4 +1,4 @@ -cmake_minimum_required(VERSION 2.8 FATAL_ERROR) +cmake_minimum_required(VERSION 3.0 FATAL_ERROR) if(NOT WIN32) string(ASCII 27 Esc) diff --git a/precomp/CMakeLists.txt b/precomp/CMakeLists.txt index 82515f20b..7259bf67a 100644 --- a/precomp/CMakeLists.txt +++ b/precomp/CMakeLists.txt @@ -1,12 +1,15 @@ - -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) project(Precompiled) #SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/..) # Libraries +if ( usePY ) + message(STATUS "Precomp - the python option is set") +endif() + file( GLOB_RECURSE precomp_files RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}/all/" "all/*" ) foreach( precomp_file ${precomp_files} ) @@ -67,6 +70,20 @@ if ( WIN32 ) endforeach( precomp_file ) endif() +if ( WIN32 AND usePY ) + file( GLOB_RECURSE precomp_files RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}/WIN32PY/" "WIN32PY/*" ) + foreach( precomp_file ${precomp_files} ) + add_custom_command( + OUTPUT "${CMAKE_CURRENT_BINARY_DIR}/../${precomp_file}" + COMMAND ${CMAKE_COMMAND} -E copy + "${CMAKE_CURRENT_SOURCE_DIR}/WIN32PY/${precomp_file}" + "${CMAKE_CURRENT_BINARY_DIR}/../${precomp_file}" + DEPENDS "${CMAKE_CURRENT_SOURCE_DIR}/WIN32PY/${precomp_file}" + ) + list( APPEND precomp_files_dest "${CMAKE_CURRENT_BINARY_DIR}/../${precomp_file}" ) + endforeach( precomp_file ) +endif() + if ( UNIX ) diff --git a/precomp/WIN32PY/pyembed/LICENSE.txt b/precomp/WIN32PY/pyembed/LICENSE.txt new file mode 100644 index 000000000..7d10a1f45 --- /dev/null +++ b/precomp/WIN32PY/pyembed/LICENSE.txt @@ -0,0 +1,625 @@ +A. HISTORY OF THE SOFTWARE +========================== + +Python was created in the early 1990s by Guido van Rossum at Stichting +Mathematisch Centrum (CWI, see http://www.cwi.nl) in the Netherlands +as a successor of a language called ABC. Guido remains Python's +principal author, although it includes many contributions from others. + +In 1995, Guido continued his work on Python at the Corporation for +National Research Initiatives (CNRI, see http://www.cnri.reston.va.us) +in Reston, Virginia where he released several versions of the +software. + +In May 2000, Guido and the Python core development team moved to +BeOpen.com to form the BeOpen PythonLabs team. In October of the same +year, the PythonLabs team moved to Digital Creations, which became +Zope Corporation. In 2001, the Python Software Foundation (PSF, see +https://www.python.org/psf/) was formed, a non-profit organization +created specifically to own Python-related Intellectual Property. +Zope Corporation was a sponsoring member of the PSF. + +All Python releases are Open Source (see http://www.opensource.org for +the Open Source Definition). Historically, most, but not all, Python +releases have also been GPL-compatible; the table below summarizes +the various releases. + + Release Derived Year Owner GPL- + from compatible? (1) + + 0.9.0 thru 1.2 1991-1995 CWI yes + 1.3 thru 1.5.2 1.2 1995-1999 CNRI yes + 1.6 1.5.2 2000 CNRI no + 2.0 1.6 2000 BeOpen.com no + 1.6.1 1.6 2001 CNRI yes (2) + 2.1 2.0+1.6.1 2001 PSF no + 2.0.1 2.0+1.6.1 2001 PSF yes + 2.1.1 2.1+2.0.1 2001 PSF yes + 2.1.2 2.1.1 2002 PSF yes + 2.1.3 2.1.2 2002 PSF yes + 2.2 and above 2.1.1 2001-now PSF yes + +Footnotes: + +(1) GPL-compatible doesn't mean that we're distributing Python under + the GPL. All Python licenses, unlike the GPL, let you distribute + a modified version without making your changes open source. The + GPL-compatible licenses make it possible to combine Python with + other software that is released under the GPL; the others don't. + +(2) According to Richard Stallman, 1.6.1 is not GPL-compatible, + because its license has a choice of law clause. According to + CNRI, however, Stallman's lawyer has told CNRI's lawyer that 1.6.1 + is "not incompatible" with the GPL. + +Thanks to the many outside volunteers who have worked under Guido's +direction to make these releases possible. + + +B. TERMS AND CONDITIONS FOR ACCESSING OR OTHERWISE USING PYTHON +=============================================================== + +PYTHON SOFTWARE FOUNDATION LICENSE VERSION 2 +-------------------------------------------- + +1. This LICENSE AGREEMENT is between the Python Software Foundation +("PSF"), and the Individual or Organization ("Licensee") accessing and +otherwise using this software ("Python") in source or binary form and +its associated documentation. + +2. Subject to the terms and conditions of this License Agreement, PSF hereby +grants Licensee a nonexclusive, royalty-free, world-wide license to reproduce, +analyze, test, perform and/or display publicly, prepare derivative works, +distribute, and otherwise use Python alone or in any derivative version, +provided, however, that PSF's License Agreement and PSF's notice of copyright, +i.e., "Copyright (c) 2001, 2002, 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, +2011, 2012, 2013, 2014, 2015, 2016, 2017, 2018, 2019 Python Software Foundation; +All Rights Reserved" are retained in Python alone or in any derivative version +prepared by Licensee. + +3. In the event Licensee prepares a derivative work that is based on +or incorporates Python or any part thereof, and wants to make +the derivative work available to others as provided herein, then +Licensee hereby agrees to include in any such work a brief summary of +the changes made to Python. + +4. PSF is making Python available to Licensee on an "AS IS" +basis. PSF MAKES NO REPRESENTATIONS OR WARRANTIES, EXPRESS OR +IMPLIED. BY WAY OF EXAMPLE, BUT NOT LIMITATION, PSF MAKES NO AND +DISCLAIMS ANY REPRESENTATION OR WARRANTY OF MERCHANTABILITY OR FITNESS +FOR ANY PARTICULAR PURPOSE OR THAT THE USE OF PYTHON WILL NOT +INFRINGE ANY THIRD PARTY RIGHTS. + +5. PSF SHALL NOT BE LIABLE TO LICENSEE OR ANY OTHER USERS OF PYTHON +FOR ANY INCIDENTAL, SPECIAL, OR CONSEQUENTIAL DAMAGES OR LOSS AS +A RESULT OF MODIFYING, DISTRIBUTING, OR OTHERWISE USING PYTHON, +OR ANY DERIVATIVE THEREOF, EVEN IF ADVISED OF THE POSSIBILITY THEREOF. + +6. This License Agreement will automatically terminate upon a material +breach of its terms and conditions. + +7. Nothing in this License Agreement shall be deemed to create any +relationship of agency, partnership, or joint venture between PSF and +Licensee. This License Agreement does not grant permission to use PSF +trademarks or trade name in a trademark sense to endorse or promote +products or services of Licensee, or any third party. + +8. By copying, installing or otherwise using Python, Licensee +agrees to be bound by the terms and conditions of this License +Agreement. + + +BEOPEN.COM LICENSE AGREEMENT FOR PYTHON 2.0 +------------------------------------------- + +BEOPEN PYTHON OPEN SOURCE LICENSE AGREEMENT VERSION 1 + +1. This LICENSE AGREEMENT is between BeOpen.com ("BeOpen"), having an +office at 160 Saratoga Avenue, Santa Clara, CA 95051, and the +Individual or Organization ("Licensee") accessing and otherwise using +this software in source or binary form and its associated +documentation ("the Software"). + +2. Subject to the terms and conditions of this BeOpen Python License +Agreement, BeOpen hereby grants Licensee a non-exclusive, +royalty-free, world-wide license to reproduce, analyze, test, perform +and/or display publicly, prepare derivative works, distribute, and +otherwise use the Software alone or in any derivative version, +provided, however, that the BeOpen Python License is retained in the +Software, alone or in any derivative version prepared by Licensee. + +3. BeOpen is making the Software available to Licensee on an "AS IS" +basis. BEOPEN MAKES NO REPRESENTATIONS OR WARRANTIES, EXPRESS OR +IMPLIED. BY WAY OF EXAMPLE, BUT NOT LIMITATION, BEOPEN MAKES NO AND +DISCLAIMS ANY REPRESENTATION OR WARRANTY OF MERCHANTABILITY OR FITNESS +FOR ANY PARTICULAR PURPOSE OR THAT THE USE OF THE SOFTWARE WILL NOT +INFRINGE ANY THIRD PARTY RIGHTS. + +4. BEOPEN SHALL NOT BE LIABLE TO LICENSEE OR ANY OTHER USERS OF THE +SOFTWARE FOR ANY INCIDENTAL, SPECIAL, OR CONSEQUENTIAL DAMAGES OR LOSS +AS A RESULT OF USING, MODIFYING OR DISTRIBUTING THE SOFTWARE, OR ANY +DERIVATIVE THEREOF, EVEN IF ADVISED OF THE POSSIBILITY THEREOF. + +5. This License Agreement will automatically terminate upon a material +breach of its terms and conditions. + +6. This License Agreement shall be governed by and interpreted in all +respects by the law of the State of California, excluding conflict of +law provisions. Nothing in this License Agreement shall be deemed to +create any relationship of agency, partnership, or joint venture +between BeOpen and Licensee. This License Agreement does not grant +permission to use BeOpen trademarks or trade names in a trademark +sense to endorse or promote products or services of Licensee, or any +third party. As an exception, the "BeOpen Python" logos available at +http://www.pythonlabs.com/logos.html may be used according to the +permissions granted on that web page. + +7. By copying, installing or otherwise using the software, Licensee +agrees to be bound by the terms and conditions of this License +Agreement. + + +CNRI LICENSE AGREEMENT FOR PYTHON 1.6.1 +--------------------------------------- + +1. This LICENSE AGREEMENT is between the Corporation for National +Research Initiatives, having an office at 1895 Preston White Drive, +Reston, VA 20191 ("CNRI"), and the Individual or Organization +("Licensee") accessing and otherwise using Python 1.6.1 software in +source or binary form and its associated documentation. + +2. Subject to the terms and conditions of this License Agreement, CNRI +hereby grants Licensee a nonexclusive, royalty-free, world-wide +license to reproduce, analyze, test, perform and/or display publicly, +prepare derivative works, distribute, and otherwise use Python 1.6.1 +alone or in any derivative version, provided, however, that CNRI's +License Agreement and CNRI's notice of copyright, i.e., "Copyright (c) +1995-2001 Corporation for National Research Initiatives; All Rights +Reserved" are retained in Python 1.6.1 alone or in any derivative +version prepared by Licensee. Alternately, in lieu of CNRI's License +Agreement, Licensee may substitute the following text (omitting the +quotes): "Python 1.6.1 is made available subject to the terms and +conditions in CNRI's License Agreement. This Agreement together with +Python 1.6.1 may be located on the Internet using the following +unique, persistent identifier (known as a handle): 1895.22/1013. This +Agreement may also be obtained from a proxy server on the Internet +using the following URL: http://hdl.handle.net/1895.22/1013". + +3. In the event Licensee prepares a derivative work that is based on +or incorporates Python 1.6.1 or any part thereof, and wants to make +the derivative work available to others as provided herein, then +Licensee hereby agrees to include in any such work a brief summary of +the changes made to Python 1.6.1. + +4. CNRI is making Python 1.6.1 available to Licensee on an "AS IS" +basis. CNRI MAKES NO REPRESENTATIONS OR WARRANTIES, EXPRESS OR +IMPLIED. BY WAY OF EXAMPLE, BUT NOT LIMITATION, CNRI MAKES NO AND +DISCLAIMS ANY REPRESENTATION OR WARRANTY OF MERCHANTABILITY OR FITNESS +FOR ANY PARTICULAR PURPOSE OR THAT THE USE OF PYTHON 1.6.1 WILL NOT +INFRINGE ANY THIRD PARTY RIGHTS. + +5. CNRI SHALL NOT BE LIABLE TO LICENSEE OR ANY OTHER USERS OF PYTHON +1.6.1 FOR ANY INCIDENTAL, SPECIAL, OR CONSEQUENTIAL DAMAGES OR LOSS AS +A RESULT OF MODIFYING, DISTRIBUTING, OR OTHERWISE USING PYTHON 1.6.1, +OR ANY DERIVATIVE THEREOF, EVEN IF ADVISED OF THE POSSIBILITY THEREOF. + +6. This License Agreement will automatically terminate upon a material +breach of its terms and conditions. + +7. This License Agreement shall be governed by the federal +intellectual property law of the United States, including without +limitation the federal copyright law, and, to the extent such +U.S. federal law does not apply, by the law of the Commonwealth of +Virginia, excluding Virginia's conflict of law provisions. +Notwithstanding the foregoing, with regard to derivative works based +on Python 1.6.1 that incorporate non-separable material that was +previously distributed under the GNU General Public License (GPL), the +law of the Commonwealth of Virginia shall govern this License +Agreement only as to issues arising under or with respect to +Paragraphs 4, 5, and 7 of this License Agreement. Nothing in this +License Agreement shall be deemed to create any relationship of +agency, partnership, or joint venture between CNRI and Licensee. This +License Agreement does not grant permission to use CNRI trademarks or +trade name in a trademark sense to endorse or promote products or +services of Licensee, or any third party. + +8. By clicking on the "ACCEPT" button where indicated, or by copying, +installing or otherwise using Python 1.6.1, Licensee agrees to be +bound by the terms and conditions of this License Agreement. + + ACCEPT + + +CWI LICENSE AGREEMENT FOR PYTHON 0.9.0 THROUGH 1.2 +-------------------------------------------------- + +Copyright (c) 1991 - 1995, Stichting Mathematisch Centrum Amsterdam, +The Netherlands. All rights reserved. + +Permission to use, copy, modify, and distribute this software and its +documentation for any purpose and without fee is hereby granted, +provided that the above copyright notice appear in all copies and that +both that copyright notice and this permission notice appear in +supporting documentation, and that the name of Stichting Mathematisch +Centrum or CWI not be used in advertising or publicity pertaining to +distribution of the software without specific, written prior +permission. + +STICHTING MATHEMATISCH CENTRUM DISCLAIMS ALL WARRANTIES WITH REGARD TO +THIS SOFTWARE, INCLUDING ALL IMPLIED WARRANTIES OF MERCHANTABILITY AND +FITNESS, IN NO EVENT SHALL STICHTING MATHEMATISCH CENTRUM BE LIABLE +FOR ANY SPECIAL, INDIRECT OR CONSEQUENTIAL DAMAGES OR ANY DAMAGES +WHATSOEVER RESULTING FROM LOSS OF USE, DATA OR PROFITS, WHETHER IN AN +ACTION OF CONTRACT, NEGLIGENCE OR OTHER TORTIOUS ACTION, ARISING OUT +OF OR IN CONNECTION WITH THE USE OR PERFORMANCE OF THIS SOFTWARE. + + + +Additional Conditions for this Windows binary build +--------------------------------------------------- + +This program is linked with and uses Microsoft Distributable Code, +copyrighted by Microsoft Corporation. The Microsoft Distributable Code +is embedded in each .exe, .dll and .pyd file as a result of running +the code through a linker. + +If you further distribute programs that include the Microsoft +Distributable Code, you must comply with the restrictions on +distribution specified by Microsoft. In particular, you must require +distributors and external end users to agree to terms that protect the +Microsoft Distributable Code at least as much as Microsoft's own +requirements for the Distributable Code. See Microsoft's documentation +(included in its developer tools and on its website at microsoft.com) +for specific details. + +Redistribution of the Windows binary build of the Python interpreter +complies with this agreement, provided that you do not: + +- alter any copyright, trademark or patent notice in Microsoft's +Distributable Code; + +- use Microsoft's trademarks in your programs' names or in a way that +suggests your programs come from or are endorsed by Microsoft; + +- distribute Microsoft's Distributable Code to run on a platform other +than Microsoft operating systems, run-time technologies or application +platforms; or + +- include Microsoft Distributable Code in malicious, deceptive or +unlawful programs. + +These restrictions apply only to the Microsoft Distributable Code as +defined above, not to Python itself or any programs running on the +Python interpreter. The redistribution of the Python interpreter and +libraries is governed by the Python Software License included with this +file, or by other licenses as marked. + + + +-------------------------------------------------------------------------- + +This program, "bzip2", the associated library "libbzip2", and all +documentation, are copyright (C) 1996-2010 Julian R Seward. All +rights reserved. + +Redistribution and use in source and binary forms, with or without +modification, are permitted provided that the following conditions +are met: + +1. Redistributions of source code must retain the above copyright + notice, this list of conditions and the following disclaimer. + +2. The origin of this software must not be misrepresented; you must + not claim that you wrote the original software. If you use this + software in a product, an acknowledgment in the product + documentation would be appreciated but is not required. + +3. Altered source versions must be plainly marked as such, and must + not be misrepresented as being the original software. + +4. The name of the author may not be used to endorse or promote + products derived from this software without specific prior written + permission. + +THIS SOFTWARE IS PROVIDED BY THE AUTHOR ``AS IS'' AND ANY EXPRESS +OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED +WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE +ARE DISCLAIMED. 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All rights reserved. + * + * Redistribution and use in source and binary forms, with or without + * modification, are permitted provided that the following conditions + * are met: + * + * 1. Redistributions of source code must retain the above copyright + * notice, this list of conditions and the following disclaimer. + * + * 2. Redistributions in binary form must reproduce the above copyright + * notice, this list of conditions and the following disclaimer in + * the documentation and/or other materials provided with the + * distribution. + * + * 3. All advertising materials mentioning features or use of this + * software must display the following acknowledgment: + * "This product includes software developed by the OpenSSL Project + * for use in the OpenSSL Toolkit. (http://www.openssl.org/)" + * + * 4. The names "OpenSSL Toolkit" and "OpenSSL Project" must not be used to + * endorse or promote products derived from this software without + * prior written permission. For written permission, please contact + * openssl-core@openssl.org. + * + * 5. Products derived from this software may not be called "OpenSSL" + * nor may "OpenSSL" appear in their names without prior written + * permission of the OpenSSL Project. + * + * 6. Redistributions of any form whatsoever must retain the following + * acknowledgment: + * "This product includes software developed by the OpenSSL Project + * for use in the OpenSSL Toolkit (http://www.openssl.org/)" + * + * THIS SOFTWARE IS PROVIDED BY THE OpenSSL PROJECT ``AS IS'' AND ANY + * EXPRESSED OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE + * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR + * PURPOSE ARE DISCLAIMED. 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This product includes software written by Tim + * Hudson (tjh@cryptsoft.com). + * + */ + + Original SSLeay License + ----------------------- + +/* Copyright (C) 1995-1998 Eric Young (eay@cryptsoft.com) + * All rights reserved. + * + * This package is an SSL implementation written + * by Eric Young (eay@cryptsoft.com). + * The implementation was written so as to conform with Netscapes SSL. + * + * This library is free for commercial and non-commercial use as long as + * the following conditions are aheared to. The following conditions + * apply to all code found in this distribution, be it the RC4, RSA, + * lhash, DES, etc., code; not just the SSL code. The SSL documentation + * included with this distribution is covered by the same copyright terms + * except that the holder is Tim Hudson (tjh@cryptsoft.com). + * + * Copyright remains Eric Young's, and as such any Copyright notices in + * the code are not to be removed. + * If this package is used in a product, Eric Young should be given attribution + * as the author of the parts of the library used. + * This can be in the form of a textual message at program startup or + * in documentation (online or textual) provided with the package. + * + * Redistribution and use in source and binary forms, with or without + * modification, are permitted provided that the following conditions + * are met: + * 1. Redistributions of source code must retain the copyright + * notice, this list of conditions and the following disclaimer. + * 2. Redistributions in binary form must reproduce the above copyright + * notice, this list of conditions and the following disclaimer in the + * documentation and/or other materials provided with the distribution. + * 3. All advertising materials mentioning features or use of this software + * must display the following acknowledgement: + * "This product includes cryptographic software written by + * Eric Young (eay@cryptsoft.com)" + * The word 'cryptographic' can be left out if the rouines from the library + * being used are not cryptographic related :-). + * 4. If you include any Windows specific code (or a derivative thereof) from + * the apps directory (application code) you must include an acknowledgement: + * "This product includes software written by Tim Hudson (tjh@cryptsoft.com)" + * + * THIS SOFTWARE IS PROVIDED BY ERIC YOUNG ``AS IS'' AND + * ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE + * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE + * ARE DISCLAIMED. IN NO EVENT SHALL THE AUTHOR OR CONTRIBUTORS BE LIABLE + * FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL + * DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS + * OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) + * HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT + * LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY + * OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF + * SUCH DAMAGE. + * + * The licence and distribution terms for any publically available version or + * derivative of this code cannot be changed. i.e. this code cannot simply be + * copied and put under another distribution licence + * [including the GNU Public Licence.] + */ + + +libffi - Copyright (c) 1996-2014 Anthony Green, Red Hat, Inc and others. +See source files for details. + +Permission is hereby granted, free of charge, to any person obtaining +a copy of this software and associated documentation files (the +``Software''), to deal in the Software without restriction, including +without limitation the rights to use, copy, modify, merge, publish, +distribute, sublicense, and/or sell copies of the Software, and to +permit persons to whom the Software is furnished to do so, subject to +the following conditions: + +The above copyright notice and this permission notice shall be +included in all copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED ``AS IS'', WITHOUT WARRANTY OF ANY KIND, +EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF +MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. +IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY +CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, +TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE +SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. + +This software is copyrighted by the Regents of the University of +California, Sun Microsystems, Inc., Scriptics Corporation, ActiveState +Corporation and other parties. The following terms apply to all files +associated with the software unless explicitly disclaimed in +individual files. + +The authors hereby grant permission to use, copy, modify, distribute, +and license this software and its documentation for any purpose, provided +that existing copyright notices are retained in all copies and that this +notice is included verbatim in any distributions. No written agreement, +license, or royalty fee is required for any of the authorized uses. +Modifications to this software may be copyrighted by their authors +and need not follow the licensing terms described here, provided that +the new terms are clearly indicated on the first page of each file where +they apply. + +IN NO EVENT SHALL THE AUTHORS OR DISTRIBUTORS BE LIABLE TO ANY PARTY +FOR DIRECT, INDIRECT, SPECIAL, INCIDENTAL, OR CONSEQUENTIAL DAMAGES +ARISING OUT OF THE USE OF THIS SOFTWARE, ITS DOCUMENTATION, OR ANY +DERIVATIVES THEREOF, EVEN IF THE AUTHORS HAVE BEEN ADVISED OF THE +POSSIBILITY OF SUCH DAMAGE. + +THE AUTHORS AND DISTRIBUTORS SPECIFICALLY DISCLAIM ANY WARRANTIES, +INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE, AND NON-INFRINGEMENT. THIS SOFTWARE +IS PROVIDED ON AN "AS IS" BASIS, AND THE AUTHORS AND DISTRIBUTORS HAVE +NO OBLIGATION TO PROVIDE MAINTENANCE, SUPPORT, UPDATES, ENHANCEMENTS, OR +MODIFICATIONS. + +GOVERNMENT USE: If you are acquiring this software on behalf of the +U.S. government, the Government shall have only "Restricted Rights" +in the software and related documentation as defined in the Federal +Acquisition Regulations (FARs) in Clause 52.227.19 (c) (2). If you +are acquiring the software on behalf of the Department of Defense, the +software shall be classified as "Commercial Computer Software" and the +Government shall have only "Restricted Rights" as defined in Clause +252.227-7014 (b) (3) of DFARs. Notwithstanding the foregoing, the +authors grant the U.S. Government and others acting in its behalf +permission to use and distribute the software in accordance with the +terms specified in this license. + +This software is copyrighted by the Regents of the University of +California, Sun Microsystems, Inc., Scriptics Corporation, ActiveState +Corporation, Apple Inc. and other parties. The following terms apply to +all files associated with the software unless explicitly disclaimed in +individual files. + +The authors hereby grant permission to use, copy, modify, distribute, +and license this software and its documentation for any purpose, provided +that existing copyright notices are retained in all copies and that this +notice is included verbatim in any distributions. No written agreement, +license, or royalty fee is required for any of the authorized uses. +Modifications to this software may be copyrighted by their authors +and need not follow the licensing terms described here, provided that +the new terms are clearly indicated on the first page of each file where +they apply. + +IN NO EVENT SHALL THE AUTHORS OR DISTRIBUTORS BE LIABLE TO ANY PARTY +FOR DIRECT, INDIRECT, SPECIAL, INCIDENTAL, OR CONSEQUENTIAL DAMAGES +ARISING OUT OF THE USE OF THIS SOFTWARE, ITS DOCUMENTATION, OR ANY +DERIVATIVES THEREOF, EVEN IF THE AUTHORS HAVE BEEN ADVISED OF THE +POSSIBILITY OF SUCH DAMAGE. + +THE AUTHORS AND DISTRIBUTORS SPECIFICALLY DISCLAIM ANY WARRANTIES, +INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE, AND NON-INFRINGEMENT. THIS SOFTWARE +IS PROVIDED ON AN "AS IS" BASIS, AND THE AUTHORS AND DISTRIBUTORS HAVE +NO OBLIGATION TO PROVIDE MAINTENANCE, SUPPORT, UPDATES, ENHANCEMENTS, OR +MODIFICATIONS. + +GOVERNMENT USE: If you are acquiring this software on behalf of the +U.S. government, the Government shall have only "Restricted Rights" +in the software and related documentation as defined in the Federal +Acquisition Regulations (FARs) in Clause 52.227.19 (c) (2). If you +are acquiring the software on behalf of the Department of Defense, the +software shall be classified as "Commercial Computer Software" and the +Government shall have only "Restricted Rights" as defined in Clause +252.227-7013 (b) (3) of DFARs. Notwithstanding the foregoing, the +authors grant the U.S. Government and others acting in its behalf +permission to use and distribute the software in accordance with the +terms specified in this license. + +Copyright (c) 1993-1999 Ioi Kim Lam. +Copyright (c) 2000-2001 Tix Project Group. +Copyright (c) 2004 ActiveState + +This software is copyrighted by the above entities +and other parties. The following terms apply to all files associated +with the software unless explicitly disclaimed in individual files. + +The authors hereby grant permission to use, copy, modify, distribute, +and license this software and its documentation for any purpose, provided +that existing copyright notices are retained in all copies and that this +notice is included verbatim in any distributions. No written agreement, +license, or royalty fee is required for any of the authorized uses. +Modifications to this software may be copyrighted by their authors +and need not follow the licensing terms described here, provided that +the new terms are clearly indicated on the first page of each file where +they apply. + +IN NO EVENT SHALL THE AUTHORS OR DISTRIBUTORS BE LIABLE TO ANY PARTY +FOR DIRECT, INDIRECT, SPECIAL, INCIDENTAL, OR CONSEQUENTIAL DAMAGES +ARISING OUT OF THE USE OF THIS SOFTWARE, ITS DOCUMENTATION, OR ANY +DERIVATIVES THEREOF, EVEN IF THE AUTHORS HAVE BEEN ADVISED OF THE +POSSIBILITY OF SUCH DAMAGE. + +THE AUTHORS AND DISTRIBUTORS SPECIFICALLY DISCLAIM ANY WARRANTIES, +INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE, AND NON-INFRINGEMENT. THIS SOFTWARE +IS PROVIDED ON AN "AS IS" BASIS, AND THE AUTHORS AND DISTRIBUTORS HAVE +NO OBLIGATION TO PROVIDE MAINTENANCE, SUPPORT, UPDATES, ENHANCEMENTS, OR +MODIFICATIONS. + +GOVERNMENT USE: If you are acquiring this software on behalf of the +U.S. government, the Government shall have only "Restricted Rights" +in the software and related documentation as defined in the Federal +Acquisition Regulations (FARs) in Clause 52.227.19 (c) (2). If you +are acquiring the software on behalf of the Department of Defense, the +software shall be classified as "Commercial Computer Software" and the +Government shall have only "Restricted Rights" as defined in Clause +252.227-7013 (c) (1) of DFARs. Notwithstanding the foregoing, the +authors grant the U.S. Government and others acting in its behalf +permission to use and distribute the software in accordance with the +terms specified in this license. + +---------------------------------------------------------------------- + +Parts of this software are based on the Tcl/Tk software copyrighted by +the Regents of the University of California, Sun Microsystems, Inc., +and other parties. The original license terms of the Tcl/Tk software +distribution is included in the file docs/license.tcltk. + +Parts of this software are based on the HTML Library software +copyrighted by Sun Microsystems, Inc. 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mode 100644 index 000000000..d12261fa8 Binary files /dev/null and b/precomp/WIN32PY/pyembed/unicodedata.pyd differ diff --git a/precomp/WIN32PY/pyembed/vcruntime140.dll b/precomp/WIN32PY/pyembed/vcruntime140.dll new file mode 100644 index 000000000..64e501688 Binary files /dev/null and b/precomp/WIN32PY/pyembed/vcruntime140.dll differ diff --git a/precomp/WIN32PY/pyembed/winsound.pyd b/precomp/WIN32PY/pyembed/winsound.pyd new file mode 100644 index 000000000..851ac461b Binary files /dev/null and b/precomp/WIN32PY/pyembed/winsound.pyd differ diff --git a/py/CMakeLists.txt b/py/CMakeLists.txt new file mode 100644 index 000000000..f0063e296 --- /dev/null +++ b/py/CMakeLists.txt @@ -0,0 +1,12 @@ +include(FetchContent) + + +FetchContent_Declare( + winembeddedpy + URL https://www.python.org/ftp/python/3.10.0/python-3.10.0-embed-amd64.zip + URL_HASH MD5=340408540EEFF359D5EAF93139AB90FD +) + +FetchContent_MakeAvailable(winembeddedpy) + +add_library(winembeddedpy INTERFACE) \ No newline at end of file diff --git a/pyinterface/CMakeLists.txt b/pyinterface/CMakeLists.txt deleted file mode 100644 index d52635d75..000000000 --- a/pyinterface/CMakeLists.txt +++ /dev/null @@ -1,50 +0,0 @@ - - -enable_language(Fortran) - - -add_definitions(-DCRY_PY) - -include_directories(../crystals) - -add_library(PySpecific STATIC -pyspecific.F -) - - -add_library(CrystalsPyInterface STATIC -cinterface.cc -modelparameters.cc -cryspy.F -) - -SET_TARGET_PROPERTIES(CrystalsPyInterface PROPERTIES LINKER_LANGUAGE C) - - -find_program(PYTHON "python") - -if (PYTHON) - set(SETUP_PY_IN "${CMAKE_CURRENT_SOURCE_DIR}/setup.py.in") - set(SETUP_PY "${CMAKE_CURRENT_BINARY_DIR}/../setup.py") - set(DEPS "${CMAKE_CURRENT_SOURCE_DIR}/__init__.py") - set(OUTPUT "${CMAKE_CURRENT_BINARY_DIR}/build/timestamp") - - configure_file(${SETUP_PY_IN} ${SETUP_PY}) - configure_file(${CMAKE_CURRENT_SOURCE_DIR}/cinterface.i cinterface.i) - configure_file(${CMAKE_CURRENT_SOURCE_DIR}/modelparameters.i modelparameters.i) - configure_file(${CMAKE_CURRENT_SOURCE_DIR}/cinterface.h cinterface.h) - configure_file(${CMAKE_CURRENT_SOURCE_DIR}/modelparameters.h modelparameters.h) - configure_file(${DEPS} ${CMAKE_CURRENT_BINARY_DIR}/../__init__.py) - - add_custom_command(OUTPUT ${OUTPUT} - COMMAND ${PYTHON} ${SETUP_PY} build_ext --compiler=mingw32 - COMMAND ${CMAKE_COMMAND} -E touch ${OUTPUT} - COMMAND ${PYTHON} ${SETUP_PY} bdist_msi - COMMAND ${PYTHON} ${SETUP_PY} install - DEPENDS ${DEPS}) - - add_custom_target(target ALL DEPENDS ${OUTPUT}) - -# install(CODE "execute_process(COMMAND ${PYTHON} ${SETUP_PY} install)") - -endif() \ No newline at end of file diff --git a/pyinterface/__init__.py b/pyinterface/__init__.py deleted file mode 100644 index d836bf3b6..000000000 --- a/pyinterface/__init__.py +++ /dev/null @@ -1,10 +0,0 @@ - -import os - -print "in init!" - -_ROOT = os.path.abspath(os.path.dirname(__file__)) - -def get_path(path): - print 'Returning ' + os.path.join(_ROOT,path) - return os.path.join(_ROOT,path) \ No newline at end of file diff --git a/pyinterface/cinterface.c b/pyinterface/cinterface.c deleted file mode 100644 index 93cd70e6c..000000000 --- a/pyinterface/cinterface.c +++ /dev/null @@ -1,72 +0,0 @@ - -/* This file contains shared library entry points for access to the CRYSTALS Fortran library. - Ideally functions should just pass arguments along and return them with minimum interference. -*/ - - -#define DLLEXP __cdecl __declspec(dllexport) - -#include "string.h" -#include "stdio.h" -#include "cinterface.h" - -static char* command_buffer; -static int command_init; - -void endofcommands(); - -//void DLLEXP ccommand(void) -void ccommand(void) -{ - commandwrap(); -} - -//void DLLEXP cinit(void) -void cinit(void) -{ - crinitwrap(); -} - -void setcommand(char *commandline){ - command_buffer = commandline; - command_init = 1; -} - -long getcommand(char *commandline) -{ - int inputlen = strlen(commandline); - char *command; - int retOK = 0; - - if (command_init) { - command_init = 0; - command = strtok(command_buffer, "\n"); - } - else{ - command = strtok(NULL, "\n"); - } - - if ( command ) { - printf("%s\n", command); - int commandlen = strlen(command); - int outputlen = (inputlen < commandlen) ? inputlen : commandlen; //Minimum of the two string lengths - - strncpy( commandline, command, outputlen ); - //PAD - for (int j = commandlen; j -//#include -//#include -#include -#include - -#include "cinterface.h" - -extern "C" { - void crinitwrap(); - void commandwrap(); -} - -class CrException: public std::exception -{ -public: - virtual const char* what() const throw() - { - return "CrException occured"; - } -} crex; - -class CrErrorException: public std::exception -{ -public: - virtual const char* what() const throw() - { - return "CrErrorException occured"; - } - void setcode(int i){ - error_code = i; - } - int error_code; -}; - -class CrEndException: public std::exception -{ -public: - virtual const char* what() const throw() - { - return "CrEndException occured"; - } -} crendex; - -class CrInitException: public std::exception -{ -public: - virtual const char* what() const throw() - { - return "CrInitException occured"; - } -} crinitex; - -Crystals* Crystals::theCrystalsClass ; -std::string Crystals::m_crysdir; - -Crystals::Crystals() { -// Ideally we want to initialize with a path to a .dsc file (existing or not). - theCrystalsClass = this; - try{ - crinitwrap(); - commandwrap(); //Process the startup files. - } - catch (CrEndException& e) { // This exception means that Crystals was closed with a #FINISH or #END. - std::cout << "Crystals finished OK" << '\n'; - } - catch (CrErrorException& e) { // This exception means that the Fortran called GUEXIT routine (in the old days a 'STOP') after an error. - std::cout << "Severe CRYSTALS error caught. Check output files. Error code: " << e.what() << '\n'; - } - catch (CrInitException& e) { // This exception means that the startup folder was not set. - std::cout << "Initialisation files not found. " << e.what() << '\n'; - } - catch (std::exception& e) { // This exception means that Crystals was closed with a #FINISH or #END. - std::cout << "Unhandled exception " << e.what() <<'\n'; - } - -} - -void Crystals::command(std::string str) { - -// Split the string at newlines into a list of strings. Store this list in the member variable m_strings. - - std::string::size_type pos = 0; - std::string::size_type prev = 0; - while ((pos = str.find('\n', prev)) != std::string::npos) - { - m_strings.push_back(str.substr(prev, pos - prev)); - prev = pos + 1; - } - - // To get the last substring (or only, if delimiter is not found) - m_strings.push_back(str.substr(prev)); - - try{ - - while ( true ) { - - int nstrings = m_strings.size(); - if ( nstrings == 0 ) break; - - commandwrap(); // CALL THE FORTRAN - it will fetch commands via get_command function. - - if ( nstrings == m_strings.size() ) { // No strings processed before return. Abandon processing. - - std::cout << "Processing error - no commands read by crystals routines in last call."; - std::list::iterator it; - for (it=m_strings.begin(); it!=m_strings.end(); ++it) - std::cout << ' ' << *it << '\n'; - m_strings.clear(); - } - - } - - } - catch (CrException& e) { // This exception means that the command line interpreter ran out of things to fetch (in getcommand() - see below). -// std::cout << e.what() << '\n'; - } - catch (CrEndException& e) { // This exception means that Crystals was closed with a #FINISH or #END. - std::cout << "Crystals finished OK" << '\n'; - } - catch (CrErrorException& e) { // This exception means that the Fortran called GUEXIT routine (in the old days a 'STOP') after an error. - std::cout << "Severe CRYSTALS error caught. Check output files. Error code: " << e.what() << '\n'; - } - - -} - -void Crystals::storecrysdir(std::string crysdir) { // Called from python to store resources location} - m_crysdir = crysdir; -} - - - - -bool Crystals::get_next_command(std::string &s) -{ - bool ret = false; - if ( m_strings.size() > 0 ) { - s = m_strings.front(); - m_strings.pop_front(); - ret = true; - } - return ret; -} - -extern "C" { -// Called from CRYSTALS to get next command -// If run out - throw exception / longjmp back to start. - long getcommand(char *commandline) - { - int inputlen = strlen(commandline); - std::string command; - int retOK = 0; - - if ( Crystals::theCrystalsClass->get_next_command(command) ){ - std::cout << command << '\n'; - int commandlen = command.length(); - int outputlen = (inputlen < commandlen) ? inputlen : commandlen; //Minimum of the two string lengths - strncpy( commandline, command.c_str(), outputlen ); - //PAD - for (int j = commandlen; j 0 ){ - std::cout << Crystals::m_crysdir << '\n'; - int crysdirlen = Crystals::m_crysdir.length(); - int outputlen = (inputlen < crysdirlen) ? inputlen : crysdirlen; //Minimum of the two string lengths - strncpy( crysdir, Crystals::m_crysdir.c_str(), outputlen ); - //PAD - for (int j = crysdirlen; j -#include - -class Crystals -{ -public: - Crystals(); -// ~Crystals(); - void command(std::string s); - static Crystals* theCrystalsClass; //sad but necessary for now. - bool get_next_command(std::string &s); - static std::string m_crysdir; - static void storecrysdir(std::string c); -private: - std::list m_strings; - - -}; \ No newline at end of file diff --git a/pyinterface/cinterface.i b/pyinterface/cinterface.i deleted file mode 100644 index 9fffd5944..000000000 --- a/pyinterface/cinterface.i +++ /dev/null @@ -1,19 +0,0 @@ -%module crystals -%include "modelparameters.i" - -%{ -#include "cinterface.h" -%} - -%include "cinterface.h" - -%pythoncode %{ -print "crystals import initialisation. Importing crysdata module..." -import crysdata -crysdir = crysdata.get_path('') -print "Data is at " + crysdir -# Store crysdir in C++ variable. - -Crystals.storecrysdir(crysdir) - -%} \ No newline at end of file diff --git a/pyinterface/cryspy.F b/pyinterface/cryspy.F deleted file mode 100644 index e9fcc8b5a..000000000 --- a/pyinterface/cryspy.F +++ /dev/null @@ -1,238 +0,0 @@ - - -C For Python interface - return after every instruction is executed - - - -#ifdef CRY_PY - - SUBROUTINE crinitwrap() bind(C) - INCLUDE 'ISTORE.INC' - INCLUDE 'STORE.INC' - INCLUDE 'TSSCHR.INC' - INCLUDE 'XDRIVE.INC' - INCLUDE 'XUNITS.INC' - INCLUDE 'XSSVAL.INC' - INCLUDE 'XCARDS.INC' - INCLUDE 'XPRGNM.INC' - INCLUDE 'XTAPES.INC' - INCLUDE 'XDISC.INC' - INCLUDE 'XDISCS.INC' - INCLUDE 'XSSCHR.INC' - INCLUDE 'XIOBUF.INC' - INCLUDE 'XCHARS.INC' - INCLUDE 'QSTORE.INC' -C -C Initialise system variables. - - CALL CRESET !These routines reinitialise SOME of the COMMON block variables, but -c CALL CAMSET !they also ensure those object files (presets and block) are linked. -C----- INITIALISE THE CARRIAGE CONTROL VARIABLES - CALL FBCINI - -C -- ASSIGN AND OPEN STARTUP CONTROL FILE - CSSCST AND LSSCST -C ARE SET IN BLOCK DATA IN PRESETS. THE LOGICAL NAME MAT BE EXPANDED - CALL MTRNLG ( CSSCST, 'OLD', LSSCST) - IF ( ISSSFI .GT. 0 ) THEN - ISTAT = KFLOPN ( NCRU ,CSSCST(1:LSSCST),ISSOLD,ISSREA,1,ISSSEQ) - IF ( ISTAT .LE. 0 ) THEN - WRITE(6,*) 'UNIT =', NCRU, 'FILE =', CSSCST - CALL XERIOM ( NCRU, ISTAT) -C STOP 'ERROR OPENING STARTUP FILE' - CALL GUEXIT (2003) - ENDIF - ENDIF - END - - SUBROUTINE commandwrap() bind (C) - - INCLUDE 'ISTORE.INC' - DIMENSION PROGLS(4,18) - INCLUDE 'STORE.INC' - INCLUDE 'TSSCHR.INC' - INCLUDE 'XDRIVE.INC' - INCLUDE 'XUNITS.INC' - INCLUDE 'XSSVAL.INC' - INCLUDE 'XCARDS.INC' - INCLUDE 'XPRGNM.INC' - INCLUDE 'XTAPES.INC' - INCLUDE 'XDISC.INC' - INCLUDE 'XDISCS.INC' - INCLUDE 'XSSCHR.INC' - INCLUDE 'XIOBUF.INC' - INCLUDE 'XCHARS.INC' - INCLUDE 'QSTORE.INC' - - INTEGER PROGLS -C -C -C -- DECLARE EXTERNAL REFERENCES TO BLOCK DATA SEGMENTS - EXTERNAL CRYBLK, SYNBLK, UTIBLK, ZBLOCK -C -C -- DECLARE LIST 11 REFERENCES TO RESERVE EXTENSIBLE COMMON - EXTERNAL XFAL11,KADD11,XIN11 - DATA NPROG / 18 / -#if !defined(_HOL_) - DATA PROGLS(1,1) / 'CRYS' / , PROGLS(2,1) / 'TALS' / - DATA PROGLS(3,1) / 'INPU' / , PROGLS(4,1) / 'T ' / - DATA PROGLS(1,2) / 'CRYS' / , PROGLS(2,2) / 'TALS' / - DATA PROGLS(3,2) / 'FIDD' / , PROGLS(4,2) / 'LE ' / - DATA PROGLS(1,3) / 'CRYS' / , PROGLS(2,3) / 'TALS' / - DATA PROGLS(3,3) / 'CALC' / , PROGLS(4,3) / 'ULAT' / - DATA PROGLS(1,4) / 'CRYS' / , PROGLS(2,4) / 'TALS' / - DATA PROGLS(3,4) / 'INVE' / , PROGLS(4,4) / 'RT ' / - DATA PROGLS(1,5) / 'CRYS' / , PROGLS(2,5) / 'TALS' / - DATA PROGLS(3,5) / 'REST' / , PROGLS(4,5) / 'RAIN' / - DATA PROGLS(1,6) / 'CRYS' / , PROGLS(2,6) / 'TALS' / - DATA PROGLS(3,6) / 'GEOM' / , PROGLS(4,6) / 'ETRY' / - DATA PROGLS(1,7) / 'CRYS' / , PROGLS(2,7) / 'TALS' / - DATA PROGLS(3,7) / 'ANIS' / , PROGLS(4,7) / 'O ' / - DATA PROGLS(1,8) / 'CRYS' / , PROGLS(2,8) / 'TALS' / - DATA PROGLS(3,8) / 'ALTE' / , PROGLS(4,8) / 'R5 ' / - DATA PROGLS(1,9) / 'CRYS' / , PROGLS(2,9) / 'TALS' / - DATA PROGLS(3,9) / 'WEIG' / , PROGLS(4,9) / 'HT ' / - DATA PROGLS(1,10) / 'CRYS' / , PROGLS(2,10) / 'TALS' / - DATA PROGLS(3,10) / 'DIST' / , PROGLS(4,10) / 'ANCE' / - DATA PROGLS(1,11) / 'CRYS' / , PROGLS(2,11) / 'TALS' / - DATA PROGLS(3,11) / 'FOUR' / , PROGLS(4,11) / 'IER ' / - DATA PROGLS(1,12) / 'CRYS' / , PROGLS(2,12) / 'TALS' / - DATA PROGLS(3,12) / 'INPU' / , PROGLS(4,12) / 'T6 ' / - DATA PROGLS(1,13) / 'CRYS' / , PROGLS(2,13) / 'TALS' / - DATA PROGLS(3,13) / 'PROC' / , PROGLS(4,13) / 'ESS6' / - DATA PROGLS(1,14) / 'CRYS' / , PROGLS(2,14) / 'TALS' / - DATA PROGLS(3,14) / 'TRIA' / , PROGLS(4,14) / 'L ' / - DATA PROGLS(1,15) / 'CRYS' / , PROGLS(2,15) / 'TALS' / - DATA PROGLS(3,15) / 'PROC' / , PROGLS(4,15) / 'ESS ' / - DATA PROGLS(1,16) / 'CRYS' / , PROGLS(2,16) / 'TALS' / - DATA PROGLS(3,16) / 'PUBL' / , PROGLS(4,16) / 'ISH ' / - DATA PROGLS(1,17) / 'CRYS' / , PROGLS(2,17) / 'TALS' / - DATA PROGLS(3,17) / 'FORE' / , PROGLS(4,17) / 'IGN ' / - DATA PROGLS(1,18) / 'CRYS' / , PROGLS(2,18) / 'TALS' / - DATA PROGLS(3,18) / 'DIFA' / , PROGLS(4,18) / 'BS ' / -#else - DATA PROGLS(1,1) / 4HCRYS / , PROGLS(2,1) / 4HTALS / - DATA PROGLS(3,1) / 4HINPU / , PROGLS(4,1) / 4HT / - DATA PROGLS(1,2) / 4HCRYS / , PROGLS(2,2) / 4HTALS / - DATA PROGLS(3,2) / 4HFIDD / , PROGLS(4,2) / 4HLE / - DATA PROGLS(1,3) / 4HCRYS / , PROGLS(2,3) / 4HTALS / - DATA PROGLS(3,3) / 4HCALC / , PROGLS(4,3) / 4HULAT / - DATA PROGLS(1,4) / 4HCRYS / , PROGLS(2,4) / 4HTALS / - DATA PROGLS(3,4) / 4HINVE / , PROGLS(4,4) / 4HRT / - DATA PROGLS(1,5) / 4HCRYS / , PROGLS(2,5) / 4HTALS / - DATA PROGLS(3,5) / 4HREST / , PROGLS(4,5) / 4HRAIN / - DATA PROGLS(1,6) / 4HCRYS / , PROGLS(2,6) / 4HTALS / - DATA PROGLS(3,6) / 4HGEOM / , PROGLS(4,6) / 4HETRY / - DATA PROGLS(1,7) / 4HCRYS / , PROGLS(2,7) / 4HTALS / - DATA PROGLS(3,7) / 4HANIS / , PROGLS(4,7) / 4HO / - DATA PROGLS(1,8) / 4HCRYS / , PROGLS(2,8) / 4HTALS / - DATA PROGLS(3,8) / 4HALTE / , PROGLS(4,8) / 4HR5 / - DATA PROGLS(1,9) / 4HCRYS / , PROGLS(2,9) / 4HTALS / - DATA PROGLS(3,9) / 4HWEIG / , PROGLS(4,9) / 4HHT / - DATA PROGLS(1,10) / 4HCRYS / , PROGLS(2,10) / 4HTALS / - DATA PROGLS(3,10) / 4HDIST / , PROGLS(4,10) / 4HANCE / - DATA PROGLS(1,11) / 4HCRYS / , PROGLS(2,11) / 4HTALS / - DATA PROGLS(3,11) / 4HFOUR / , PROGLS(4,11) / 4HIER / - DATA PROGLS(1,12) / 4HCRYS / , PROGLS(2,12) / 4HTALS / - DATA PROGLS(3,12) / 4HINPU / , PROGLS(4,12) / 4HT6 / - DATA PROGLS(1,13) / 4HCRYS / , PROGLS(2,13) / 4HTALS / - DATA PROGLS(3,13) / 4HPROC / , PROGLS(4,13) / 4HESS6 / - DATA PROGLS(1,14) / 4HCRYS / , PROGLS(2,14) / 4HTALS / - DATA PROGLS(3,14) / 4HTRIA / , PROGLS(4,14) / 4HL / - DATA PROGLS(1,15) / 4HCRYS / , PROGLS(2,15) / 4HTALS / - DATA PROGLS(3,15) / 4HPROC / , PROGLS(4,15) / 4HESS / - DATA PROGLS(1,16) / 4HCRYS / , PROGLS(2,16) / 4HTALS / - DATA PROGLS(3,16) / 4HPUBL / , PROGLS(4,16) / 4HISH / - DATA PROGLS(1,17) / 4HCRYS / , PROGLS(2,17) / 4HTALS / - DATA PROGLS(3,17) / 4HFORE / , PROGLS(4,17) / 4HIGN / - DATA PROGLS(1,18) / 4HCRYS / , PROGLS(2,18) / 4HTALS / - DATA PROGLS(3,18) / 4HDIFA / , PROGLS(4,18) / 4HBS / -#endif - - - KOLDER = IERFLG - - CALL XGUIUP(0) - - IERFLG = KOLDER - - CALL XFILL(IB,KPRGNM,17) !No longer in a program sub-unit. - I = KNXTOP ( LSTOP,LSTNO,ICLASS ) -C----- CHECK IF THIS SEGMENT NAME IS AVAILABLE - I=KCOMP(4,KPRGNM,PROGLS,NPROG,4) - IF ( I .LE. 0 ) GO TO 9920 -C----- GOTO THE APPROPRIATE SECTION - GOTO(3010,3020,3030,3040,3050,3060,3070,3080,3090, - 2 3100 , 3110 , 3120 , 3130 , 3140 , - 3 3150 , 3160 , 3170 , 3180 , 9920 ) , I - GO TO 9920 -C -C -3010 CONTINUE - CALL INPUT - GOTO 1210 -3020 CONTINUE - CALL FIDDLE - GOTO 1210 -3030 CONTINUE - CALL CALCUL - GOTO 1210 -3040 CONTINUE - CALL INVERT - GOTO 1210 -3050 CONTINUE - CALL RESTR - GOTO 1210 -3060 CONTINUE - CALL GEOMET - GOTO 1210 -3070 CONTINUE - CALL ANISO - GOTO 1210 -3080 CONTINUE - CALL ALTER5 - GOTO 1210 -3090 CONTINUE - CALL WEIGHT - GOTO 1210 -3100 CONTINUE - CALL DISTAN - GOTO 1210 -3110 CONTINUE - CALL FOURIE - GOTO 1210 -3120 CONTINUE - CALL INPUT6 - GOTO 1210 -3130 CONTINUE - CALL PRCSS6 - GOTO 1210 -3140 CONTINUE - CALL TRIAL - GOTO 1210 -3150 CONTINUE - CALL PRCSS - GOTO 1210 -3160 CONTINUE - CALL PUBLSH - GOTO 1210 -3170 CONTINUE - CALL FOREIG - GO TO 1210 -3180 CONTINUE - CALL DIFABS - -1210 CONTINUE - RETURN - -9920 CONTINUE - WRITE ( CMON, 9925) - CALL XPRVDU(NCEROR, 1,0) -9925 FORMAT ( 1X , 'Illegal program name selected' ) - GO TO 9990 -C -9990 CONTINUE -C STOP 'CRYSTALS START ERROR' - CALL GUEXIT (2004) - END - -#endif diff --git a/pyinterface/cryspy.c b/pyinterface/cryspy.c deleted file mode 100644 index 0b80718e8..000000000 --- a/pyinterface/cryspy.c +++ /dev/null @@ -1,64 +0,0 @@ -/* File: cryspy.c */ -#include -#include -//Make the declarations in the cinterface file look like imports: -//#define DLLEXP __cdecl __declspec(dllimport) -#include "cinterface.h" - -static jmp_buf thebeginning; - - -static PyObject * command_wrapper(PyObject * self, PyObject * args) -{ - PyObject * ret; - char * command_buffer; - // parse arguments - if (!PyArg_ParseTuple(args, "s", &command_buffer)) { - return NULL; - } - setcommand(command_buffer); - - int i = setjmp(thebeginning); - printf("pointer %d \n", (long*)thebeginning) ; - if ( i == 0 ) { -// printf("Calling ccommand.\n"); - ccommand(); - } - else { -// printf("Longjmp back to start.\n"); - } - - Py_RETURN_NONE; -} - -// Call this to force a longjmp back to where the routine above. -void endofcommands(){ -// printf("pointer %d \n", (long*)thebeginning) ; - longjmp(thebeginning,1); -} - - - -static PyObject * crinit_wrapper(PyObject * self, PyObject * args) -{ - cinit(); - - Py_RETURN_NONE; -} - - - - - -static PyMethodDef cryspyMethods[] = { - { "command", command_wrapper, METH_VARARGS, "Run commands" }, - { "init", crinit_wrapper, METH_VARARGS, "Initialise CRYSTALS" }, - { NULL, NULL, 0, NULL } -}; - -DL_EXPORT(void) initcryspy(void) -{ - Py_InitModule("cryspy", cryspyMethods); -} - - diff --git a/pyinterface/cryspy.h b/pyinterface/cryspy.h deleted file mode 100644 index d678b9134..000000000 --- a/pyinterface/cryspy.h +++ /dev/null @@ -1,2 +0,0 @@ - -void command (void); \ No newline at end of file diff --git a/pyinterface/modelparameters.cc b/pyinterface/modelparameters.cc deleted file mode 100644 index 58a48448b..000000000 --- a/pyinterface/modelparameters.cc +++ /dev/null @@ -1,19 +0,0 @@ - - -#include -#include -#include "modelparameters.h" - - -Atom::Atom(){ - -} - -Atom::~Atom(){ - -} - -void Atom::show(Atom *a) { - std::cout << a->label << " " << a->x << " " << a->y << " " << a->z << std::endl; -} - diff --git a/pyinterface/modelparameters.h b/pyinterface/modelparameters.h deleted file mode 100644 index 46992d13d..000000000 --- a/pyinterface/modelparameters.h +++ /dev/null @@ -1,35 +0,0 @@ - - - -class Atom { - -public: - Atom(); - ~Atom(); - std::string label; - int serial; - int flag; - double occ; - double x; - double y; - double z; - double U11; - double U22; - double U33; - double U32; - double U31; - double U21; - double spare; - int part; - static void show(Atom*); - // and so on.., -}; - -struct Model { - Model(); - ~Model(); - Atom * atoms; -}; - - - diff --git a/pyinterface/modelparameters.i b/pyinterface/modelparameters.i deleted file mode 100644 index 0c9024d1a..000000000 --- a/pyinterface/modelparameters.i +++ /dev/null @@ -1,27 +0,0 @@ -%module crystals -%include "std_string.i" -%{ -#include "modelparameters.h" -%} - -class Atom { -public: - Atom(); - ~Atom(); - std::string label; - int serial; - int flag; - double occ; - double x; - double y; - double z; - double U11; - double U22; - double U33; - double U32; - double U31; - double U21; - double spare; - int part; - static void show(Atom *a); -}; \ No newline at end of file diff --git a/pyinterface/pyspecific.F b/pyinterface/pyspecific.F deleted file mode 100644 index 6df895e91..000000000 --- a/pyinterface/pyspecific.F +++ /dev/null @@ -1,106 +0,0 @@ -CODE FOR GETCOM - SUBROUTINE GETCOM(CLINE) - - interface -!> interface to C function getCommand (iso_c_bindings) - integer function getcommand (caline) bind(c) - use, intrinsic :: ISO_C_BINDING - implicit none - character caline - end function getcommand - end interface - - INTEGER ISTAT - CHARACTER*256 CALINE - INCLUDE 'XSSVAL.INC' - INCLUDE 'UFILE.INC' - INCLUDE 'CAMPAR.INC' - INCLUDE 'CAMBLK.INC' - INCLUDE 'XIOBUF.INC' - INCLUDE 'XUNITS.INC' - CHARACTER *(*) CLINE - - CALINE=' ' - ISTAT = 0 - ISTAT = getcommand(caline) - - READ(CALINE,'(A)') CLINE - - END SUBROUTINE - - -CODE FOR GUEXIT - SUBROUTINE GUEXIT(IVAR) - interface -!> interface to C function exitpythread (iso_c_bindings) - subroutine exitpythread (icode) bind(c) - use, intrinsic :: ISO_C_BINDING - implicit none - integer icode - end subroutine exitpythread - end interface - INTEGER IVAR - INCLUDE 'UFILE.INC' -C Meanings of IVAR. -C 0 Ok -C 1 Error -C 2 Serious error -C 3-1999 unspecified. -C 2001 Zero length vector -C 2002 SPECLIB - XDEPAC -C 2003 ERROR OPENING STARTUP FILE -C 2004 CRYSTALS START ERROR -C 2005 CANNOT CREATE FILE -C 2006 WRITE ERROR -C 2007 XFETCH -C 2008 XSTORE -C 2009 INPUT -C 2010 LABEL NOT IMPLEMENTED -C 2011 XFINDE -C 2012 XLDCBL -C 2013 XFCFI -C 2014 XDSMSG -C 2015 XLINES -c 2016 KCHNCB -c 2017 XINERT -c 2018 PO1AAF (NAG) -c 2019 LIST 6 ERROR -c 2020 ERROR HANDLING -c 2021 SPYERROR -c 2022 KEQUAT -c 2023 KFORM -c 2024 KFUNCT -c 2025 XABS -c 2026 XCONOP ERROR -c 2027 ROUTINE NOT IMPLEMENTED -C----- DON'T CLOSE ALL THE FILES -c DO 2001 I = 1,NFLUSD -c J = KFLCLS(IFLUNI(I)) -c2001 CONTINUE - CALL exitpythread(IVAR) - RETURN - END - - SUBROUTINE GETVAR(CKEY, CVAL) - interface -!> interface to C function getCommand (iso_c_bindings) - integer function getcrysdir (crd) bind(c) - use, intrinsic :: ISO_C_BINDING - implicit none - character crd - end function getcrysdir - end interface - - CHARACTER*(*) CKEY, CVAL - integer i - - i = -1 - - if (ckey .eq. 'CRYSDIR') then - i = getcrysdir(cval) - endif - - if ( i .ne. 0 ) then - call GET_ENVIRONMENT_VARIABLE(CKEY,CVAL) - endif - end \ No newline at end of file diff --git a/pyinterface/setup.py b/pyinterface/setup.py deleted file mode 100644 index e1ff3efd0..000000000 --- a/pyinterface/setup.py +++ /dev/null @@ -1,26 +0,0 @@ - -""" -setup.py file for CrysPy -""" - -from distutils.core import setup, Extension - - -cryspy_module = Extension('cryspy', - sources=['cryspy.c'], - library_dirs=['../p/crystals','../p/pyinterface'], - libraries=['CrystalsPyInterface','CrystalsShared','gfortran','openblas'], - ) - - -setup (name = 'cryspy', - version = '0.2', - author = "Richard Cooper", - description = """Level 0 CRYSTALS Python API from SWIG""", - ext_modules = [cryspy_module], - py_modules = ["cryspy"], -# package_data={'crystals': ['../p/commands.dsc','dsjkds', '../p/crystals.srt']}, -# include_package_data=True, - data_files=[('crystals', ['../p/commands.dsc', '../p/crystals.srt'])], - ) - \ No newline at end of file diff --git a/pyinterface/setup.py.in b/pyinterface/setup.py.in deleted file mode 100644 index f95155f73..000000000 --- a/pyinterface/setup.py.in +++ /dev/null @@ -1,31 +0,0 @@ - -""" -setup.py file for CrysPy -""" - -from distutils.core import setup, Extension - - -cryspy_module = Extension('_crystals', - sources=['cinterface.i'], - swig_opts=['-c++'], - extra_link_args=['-static','-static-libgcc','-static-libstdc++','-static-libgfortran','-lquadmath'], -# extra_link_args=['-static'], - library_dirs=['../crystals','.'], - libraries=['CrystalsPyInterface', 'CrystalsFortran','PySpecific','gfortran','openblas'], - ) - - -setup (name = 'crystals', - version = '0.4', - description = """Level 0 CRYSTALS Python API from SWIG""", - ext_modules = [cryspy_module], - url='http://www.xtl.ox.ac.uk/', - author='Richard Cooper', - author_email='richard.cooper@chem.ox.ac.uk', - packages=['crysdata'], - package_dir={'crysdata': '..'}, - package_data={'crysdata': ['commands.dsc','crystals.srt','superflip.exe']}, - py_modules = ["crystals"], - ) - diff --git a/python-headers-win/Include/Python-ast.h b/python-headers-win/Include/Python-ast.h new file mode 100644 index 000000000..5fe4f2b43 --- /dev/null +++ b/python-headers-win/Include/Python-ast.h @@ -0,0 +1,715 @@ +/* File automatically generated by Parser/asdl_c.py. */ + +#ifndef Py_PYTHON_AST_H +#define Py_PYTHON_AST_H +#ifdef __cplusplus +extern "C" { +#endif + +#include "asdl.h" + +#undef Yield /* undefine macro conflicting with */ + +typedef struct _mod *mod_ty; + +typedef struct _stmt *stmt_ty; + +typedef struct _expr *expr_ty; + +typedef enum _expr_context { Load=1, Store=2, Del=3, AugLoad=4, AugStore=5, + Param=6 } expr_context_ty; + +typedef struct _slice *slice_ty; + +typedef enum _boolop { And=1, Or=2 } boolop_ty; + +typedef enum _operator { Add=1, Sub=2, Mult=3, MatMult=4, Div=5, Mod=6, Pow=7, + LShift=8, RShift=9, BitOr=10, BitXor=11, BitAnd=12, + FloorDiv=13 } operator_ty; + +typedef enum _unaryop { Invert=1, Not=2, UAdd=3, USub=4 } unaryop_ty; + +typedef enum _cmpop { Eq=1, NotEq=2, Lt=3, LtE=4, Gt=5, GtE=6, Is=7, IsNot=8, + In=9, NotIn=10 } cmpop_ty; + +typedef struct _comprehension *comprehension_ty; + +typedef struct _excepthandler *excepthandler_ty; + +typedef struct _arguments *arguments_ty; + +typedef struct _arg *arg_ty; + +typedef struct _keyword *keyword_ty; + +typedef struct _alias *alias_ty; + +typedef struct _withitem *withitem_ty; + +typedef struct _type_ignore *type_ignore_ty; + + +enum _mod_kind {Module_kind=1, Interactive_kind=2, Expression_kind=3, + FunctionType_kind=4, Suite_kind=5}; +struct _mod { + enum _mod_kind kind; + union { + struct { + asdl_seq *body; + asdl_seq *type_ignores; + } Module; + + struct { + asdl_seq *body; + } Interactive; + + struct { + expr_ty body; + } Expression; + + struct { + asdl_seq *argtypes; + expr_ty returns; + } FunctionType; + + struct { + asdl_seq *body; + } Suite; + + } v; +}; + +enum _stmt_kind {FunctionDef_kind=1, AsyncFunctionDef_kind=2, ClassDef_kind=3, + Return_kind=4, Delete_kind=5, Assign_kind=6, + AugAssign_kind=7, AnnAssign_kind=8, For_kind=9, + AsyncFor_kind=10, While_kind=11, If_kind=12, With_kind=13, + AsyncWith_kind=14, Raise_kind=15, Try_kind=16, + Assert_kind=17, Import_kind=18, ImportFrom_kind=19, + Global_kind=20, Nonlocal_kind=21, Expr_kind=22, Pass_kind=23, + Break_kind=24, Continue_kind=25}; +struct _stmt { + enum _stmt_kind kind; + union { + struct { + identifier name; + arguments_ty args; + asdl_seq *body; + asdl_seq *decorator_list; + expr_ty returns; + string type_comment; + } FunctionDef; + + struct { + identifier name; + arguments_ty args; + asdl_seq *body; + asdl_seq *decorator_list; + expr_ty returns; + string type_comment; + } AsyncFunctionDef; + + struct { + identifier name; + asdl_seq *bases; + asdl_seq *keywords; + asdl_seq *body; + asdl_seq *decorator_list; + } ClassDef; + + struct { + expr_ty value; + } Return; + + struct { + asdl_seq *targets; + } Delete; + + struct { + asdl_seq *targets; + expr_ty value; + string type_comment; + } Assign; + + struct { + expr_ty target; + operator_ty op; + expr_ty value; + } AugAssign; + + struct { + expr_ty target; + expr_ty annotation; + expr_ty value; + int simple; + } AnnAssign; + + struct { + expr_ty target; + expr_ty iter; + asdl_seq *body; + asdl_seq *orelse; + string type_comment; + } For; + + struct { + expr_ty target; + expr_ty iter; + asdl_seq *body; + asdl_seq *orelse; + string type_comment; + } AsyncFor; + + struct { + expr_ty test; + asdl_seq *body; + asdl_seq *orelse; + } While; + + struct { + expr_ty test; + asdl_seq *body; + asdl_seq *orelse; + } If; + + struct { + asdl_seq *items; + asdl_seq *body; + string type_comment; + } With; + + struct { + asdl_seq *items; + asdl_seq *body; + string type_comment; + } AsyncWith; + + struct { + expr_ty exc; + expr_ty cause; + } Raise; + + struct { + asdl_seq *body; + asdl_seq *handlers; + asdl_seq *orelse; + asdl_seq *finalbody; + } Try; + + struct { + expr_ty test; + expr_ty msg; + } Assert; + + struct { + asdl_seq *names; + } Import; + + struct { + identifier module; + asdl_seq *names; + int level; + } ImportFrom; + + struct { + asdl_seq *names; + } Global; + + struct { + asdl_seq *names; + } Nonlocal; + + struct { + expr_ty value; + } Expr; + + } v; + int lineno; + int col_offset; + int end_lineno; + int end_col_offset; +}; + +enum _expr_kind {BoolOp_kind=1, NamedExpr_kind=2, BinOp_kind=3, UnaryOp_kind=4, + Lambda_kind=5, IfExp_kind=6, Dict_kind=7, Set_kind=8, + ListComp_kind=9, SetComp_kind=10, DictComp_kind=11, + GeneratorExp_kind=12, Await_kind=13, Yield_kind=14, + YieldFrom_kind=15, Compare_kind=16, Call_kind=17, + FormattedValue_kind=18, JoinedStr_kind=19, Constant_kind=20, + Attribute_kind=21, Subscript_kind=22, Starred_kind=23, + Name_kind=24, List_kind=25, Tuple_kind=26}; +struct _expr { + enum _expr_kind kind; + union { + struct { + boolop_ty op; + asdl_seq *values; + } BoolOp; + + struct { + expr_ty target; + expr_ty value; + } NamedExpr; + + struct { + expr_ty left; + operator_ty op; + expr_ty right; + } BinOp; + + struct { + unaryop_ty op; + expr_ty operand; + } UnaryOp; + + struct { + arguments_ty args; + expr_ty body; + } Lambda; + + struct { + expr_ty test; + expr_ty body; + expr_ty orelse; + } IfExp; + + struct { + asdl_seq *keys; + asdl_seq *values; + } Dict; + + struct { + asdl_seq *elts; + } Set; + + struct { + expr_ty elt; + asdl_seq *generators; + } ListComp; + + struct { + expr_ty elt; + asdl_seq *generators; + } SetComp; + + struct { + expr_ty key; + expr_ty value; + asdl_seq *generators; + } DictComp; + + struct { + expr_ty elt; + asdl_seq *generators; + } GeneratorExp; + + struct { + expr_ty value; + } Await; + + struct { + expr_ty value; + } Yield; + + struct { + expr_ty value; + } YieldFrom; + + struct { + expr_ty left; + asdl_int_seq *ops; + asdl_seq *comparators; + } Compare; + + struct { + expr_ty func; + asdl_seq *args; + asdl_seq *keywords; + } Call; + + struct { + expr_ty value; + int conversion; + expr_ty format_spec; + } FormattedValue; + + struct { + asdl_seq *values; + } JoinedStr; + + struct { + constant value; + string kind; + } Constant; + + struct { + expr_ty value; + identifier attr; + expr_context_ty ctx; + } Attribute; + + struct { + expr_ty value; + slice_ty slice; + expr_context_ty ctx; + } Subscript; + + struct { + expr_ty value; + expr_context_ty ctx; + } Starred; + + struct { + identifier id; + expr_context_ty ctx; + } Name; + + struct { + asdl_seq *elts; + expr_context_ty ctx; + } List; + + struct { + asdl_seq *elts; + expr_context_ty ctx; + } Tuple; + + } v; + int lineno; + int col_offset; + int end_lineno; + int end_col_offset; +}; + +enum _slice_kind {Slice_kind=1, ExtSlice_kind=2, Index_kind=3}; +struct _slice { + enum _slice_kind kind; + union { + struct { + expr_ty lower; + expr_ty upper; + expr_ty step; + } Slice; + + struct { + asdl_seq *dims; + } ExtSlice; + + struct { + expr_ty value; + } Index; + + } v; +}; + +struct _comprehension { + expr_ty target; + expr_ty iter; + asdl_seq *ifs; + int is_async; +}; + +enum _excepthandler_kind {ExceptHandler_kind=1}; +struct _excepthandler { + enum _excepthandler_kind kind; + union { + struct { + expr_ty type; + identifier name; + asdl_seq *body; + } ExceptHandler; + + } v; + int lineno; + int col_offset; + int end_lineno; + int end_col_offset; +}; + +struct _arguments { + asdl_seq *posonlyargs; + asdl_seq *args; + arg_ty vararg; + asdl_seq *kwonlyargs; + asdl_seq *kw_defaults; + arg_ty kwarg; + asdl_seq *defaults; +}; + +struct _arg { + identifier arg; + expr_ty annotation; + string type_comment; + int lineno; + int col_offset; + int end_lineno; + int end_col_offset; +}; + +struct _keyword { + identifier arg; + expr_ty value; +}; + +struct _alias { + identifier name; + identifier asname; +}; + +struct _withitem { + expr_ty context_expr; + expr_ty optional_vars; +}; + +enum _type_ignore_kind {TypeIgnore_kind=1}; +struct _type_ignore { + enum _type_ignore_kind kind; + union { + struct { + int lineno; + string tag; + } TypeIgnore; + + } v; +}; + + +// Note: these macros affect function definitions, not only call sites. +#define Module(a0, a1, a2) _Py_Module(a0, a1, a2) +mod_ty _Py_Module(asdl_seq * body, asdl_seq * type_ignores, PyArena *arena); +#define Interactive(a0, a1) _Py_Interactive(a0, a1) +mod_ty _Py_Interactive(asdl_seq * body, PyArena *arena); +#define Expression(a0, a1) _Py_Expression(a0, a1) +mod_ty _Py_Expression(expr_ty body, PyArena *arena); +#define FunctionType(a0, a1, a2) _Py_FunctionType(a0, a1, a2) +mod_ty _Py_FunctionType(asdl_seq * argtypes, expr_ty returns, PyArena *arena); +#define Suite(a0, a1) _Py_Suite(a0, a1) +mod_ty _Py_Suite(asdl_seq * body, PyArena *arena); +#define FunctionDef(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9, a10) _Py_FunctionDef(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9, a10) +stmt_ty _Py_FunctionDef(identifier name, arguments_ty args, asdl_seq * body, + asdl_seq * decorator_list, expr_ty returns, string + type_comment, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define AsyncFunctionDef(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9, a10) _Py_AsyncFunctionDef(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9, a10) +stmt_ty _Py_AsyncFunctionDef(identifier name, arguments_ty args, asdl_seq * + body, asdl_seq * decorator_list, expr_ty returns, + string type_comment, int lineno, int col_offset, + int end_lineno, int end_col_offset, PyArena + *arena); +#define ClassDef(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9) _Py_ClassDef(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9) +stmt_ty _Py_ClassDef(identifier name, asdl_seq * bases, asdl_seq * keywords, + asdl_seq * body, asdl_seq * decorator_list, int lineno, + int col_offset, int end_lineno, int end_col_offset, + PyArena *arena); +#define Return(a0, a1, a2, a3, a4, a5) _Py_Return(a0, a1, a2, a3, a4, a5) +stmt_ty _Py_Return(expr_ty value, int lineno, int col_offset, int end_lineno, + int end_col_offset, PyArena *arena); +#define Delete(a0, a1, a2, a3, a4, a5) _Py_Delete(a0, a1, a2, a3, a4, a5) +stmt_ty _Py_Delete(asdl_seq * targets, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define Assign(a0, a1, a2, a3, a4, a5, a6, a7) _Py_Assign(a0, a1, a2, a3, a4, a5, a6, a7) +stmt_ty _Py_Assign(asdl_seq * targets, expr_ty value, string type_comment, int + lineno, int col_offset, int end_lineno, int end_col_offset, + PyArena *arena); +#define AugAssign(a0, a1, a2, a3, a4, a5, a6, a7) _Py_AugAssign(a0, a1, a2, a3, a4, a5, a6, a7) +stmt_ty _Py_AugAssign(expr_ty target, operator_ty op, expr_ty value, int + lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define AnnAssign(a0, a1, a2, a3, a4, a5, a6, a7, a8) _Py_AnnAssign(a0, a1, a2, a3, a4, a5, a6, a7, a8) +stmt_ty _Py_AnnAssign(expr_ty target, expr_ty annotation, expr_ty value, int + simple, int lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define For(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9) _Py_For(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9) +stmt_ty _Py_For(expr_ty target, expr_ty iter, asdl_seq * body, asdl_seq * + orelse, string type_comment, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define AsyncFor(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9) _Py_AsyncFor(a0, a1, a2, a3, a4, a5, a6, a7, a8, a9) +stmt_ty _Py_AsyncFor(expr_ty target, expr_ty iter, asdl_seq * body, asdl_seq * + orelse, string type_comment, int lineno, int col_offset, + int end_lineno, int end_col_offset, PyArena *arena); +#define While(a0, a1, a2, a3, a4, a5, a6, a7) _Py_While(a0, a1, a2, a3, a4, a5, a6, a7) +stmt_ty _Py_While(expr_ty test, asdl_seq * body, asdl_seq * orelse, int lineno, + int col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define If(a0, a1, a2, a3, a4, a5, a6, a7) _Py_If(a0, a1, a2, a3, a4, a5, a6, a7) +stmt_ty _Py_If(expr_ty test, asdl_seq * body, asdl_seq * orelse, int lineno, + int col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define With(a0, a1, a2, a3, a4, a5, a6, a7) _Py_With(a0, a1, a2, a3, a4, a5, a6, a7) +stmt_ty _Py_With(asdl_seq * items, asdl_seq * body, string type_comment, int + lineno, int col_offset, int end_lineno, int end_col_offset, + PyArena *arena); +#define AsyncWith(a0, a1, a2, a3, a4, a5, a6, a7) _Py_AsyncWith(a0, a1, a2, a3, a4, a5, a6, a7) +stmt_ty _Py_AsyncWith(asdl_seq * items, asdl_seq * body, string type_comment, + int lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define Raise(a0, a1, a2, a3, a4, a5, a6) _Py_Raise(a0, a1, a2, a3, a4, a5, a6) +stmt_ty _Py_Raise(expr_ty exc, expr_ty cause, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define Try(a0, a1, a2, a3, a4, a5, a6, a7, a8) _Py_Try(a0, a1, a2, a3, a4, a5, a6, a7, a8) +stmt_ty _Py_Try(asdl_seq * body, asdl_seq * handlers, asdl_seq * orelse, + asdl_seq * finalbody, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define Assert(a0, a1, a2, a3, a4, a5, a6) _Py_Assert(a0, a1, a2, a3, a4, a5, a6) +stmt_ty _Py_Assert(expr_ty test, expr_ty msg, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define Import(a0, a1, a2, a3, a4, a5) _Py_Import(a0, a1, a2, a3, a4, a5) +stmt_ty _Py_Import(asdl_seq * names, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define ImportFrom(a0, a1, a2, a3, a4, a5, a6, a7) _Py_ImportFrom(a0, a1, a2, a3, a4, a5, a6, a7) +stmt_ty _Py_ImportFrom(identifier module, asdl_seq * names, int level, int + lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define Global(a0, a1, a2, a3, a4, a5) _Py_Global(a0, a1, a2, a3, a4, a5) +stmt_ty _Py_Global(asdl_seq * names, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define Nonlocal(a0, a1, a2, a3, a4, a5) _Py_Nonlocal(a0, a1, a2, a3, a4, a5) +stmt_ty _Py_Nonlocal(asdl_seq * names, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define Expr(a0, a1, a2, a3, a4, a5) _Py_Expr(a0, a1, a2, a3, a4, a5) +stmt_ty _Py_Expr(expr_ty value, int lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define Pass(a0, a1, a2, a3, a4) _Py_Pass(a0, a1, a2, a3, a4) +stmt_ty _Py_Pass(int lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define Break(a0, a1, a2, a3, a4) _Py_Break(a0, a1, a2, a3, a4) +stmt_ty _Py_Break(int lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define Continue(a0, a1, a2, a3, a4) _Py_Continue(a0, a1, a2, a3, a4) +stmt_ty _Py_Continue(int lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define BoolOp(a0, a1, a2, a3, a4, a5, a6) _Py_BoolOp(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_BoolOp(boolop_ty op, asdl_seq * values, int lineno, int col_offset, + int end_lineno, int end_col_offset, PyArena *arena); +#define NamedExpr(a0, a1, a2, a3, a4, a5, a6) _Py_NamedExpr(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_NamedExpr(expr_ty target, expr_ty value, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define BinOp(a0, a1, a2, a3, a4, a5, a6, a7) _Py_BinOp(a0, a1, a2, a3, a4, a5, a6, a7) +expr_ty _Py_BinOp(expr_ty left, operator_ty op, expr_ty right, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define UnaryOp(a0, a1, a2, a3, a4, a5, a6) _Py_UnaryOp(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_UnaryOp(unaryop_ty op, expr_ty operand, int lineno, int col_offset, + int end_lineno, int end_col_offset, PyArena *arena); +#define Lambda(a0, a1, a2, a3, a4, a5, a6) _Py_Lambda(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_Lambda(arguments_ty args, expr_ty body, int lineno, int col_offset, + int end_lineno, int end_col_offset, PyArena *arena); +#define IfExp(a0, a1, a2, a3, a4, a5, a6, a7) _Py_IfExp(a0, a1, a2, a3, a4, a5, a6, a7) +expr_ty _Py_IfExp(expr_ty test, expr_ty body, expr_ty orelse, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define Dict(a0, a1, a2, a3, a4, a5, a6) _Py_Dict(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_Dict(asdl_seq * keys, asdl_seq * values, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define Set(a0, a1, a2, a3, a4, a5) _Py_Set(a0, a1, a2, a3, a4, a5) +expr_ty _Py_Set(asdl_seq * elts, int lineno, int col_offset, int end_lineno, + int end_col_offset, PyArena *arena); +#define ListComp(a0, a1, a2, a3, a4, a5, a6) _Py_ListComp(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_ListComp(expr_ty elt, asdl_seq * generators, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define SetComp(a0, a1, a2, a3, a4, a5, a6) _Py_SetComp(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_SetComp(expr_ty elt, asdl_seq * generators, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define DictComp(a0, a1, a2, a3, a4, a5, a6, a7) _Py_DictComp(a0, a1, a2, a3, a4, a5, a6, a7) +expr_ty _Py_DictComp(expr_ty key, expr_ty value, asdl_seq * generators, int + lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define GeneratorExp(a0, a1, a2, a3, a4, a5, a6) _Py_GeneratorExp(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_GeneratorExp(expr_ty elt, asdl_seq * generators, int lineno, int + col_offset, int end_lineno, int end_col_offset, + PyArena *arena); +#define Await(a0, a1, a2, a3, a4, a5) _Py_Await(a0, a1, a2, a3, a4, a5) +expr_ty _Py_Await(expr_ty value, int lineno, int col_offset, int end_lineno, + int end_col_offset, PyArena *arena); +#define Yield(a0, a1, a2, a3, a4, a5) _Py_Yield(a0, a1, a2, a3, a4, a5) +expr_ty _Py_Yield(expr_ty value, int lineno, int col_offset, int end_lineno, + int end_col_offset, PyArena *arena); +#define YieldFrom(a0, a1, a2, a3, a4, a5) _Py_YieldFrom(a0, a1, a2, a3, a4, a5) +expr_ty _Py_YieldFrom(expr_ty value, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define Compare(a0, a1, a2, a3, a4, a5, a6, a7) _Py_Compare(a0, a1, a2, a3, a4, a5, a6, a7) +expr_ty _Py_Compare(expr_ty left, asdl_int_seq * ops, asdl_seq * comparators, + int lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define Call(a0, a1, a2, a3, a4, a5, a6, a7) _Py_Call(a0, a1, a2, a3, a4, a5, a6, a7) +expr_ty _Py_Call(expr_ty func, asdl_seq * args, asdl_seq * keywords, int + lineno, int col_offset, int end_lineno, int end_col_offset, + PyArena *arena); +#define FormattedValue(a0, a1, a2, a3, a4, a5, a6, a7) _Py_FormattedValue(a0, a1, a2, a3, a4, a5, a6, a7) +expr_ty _Py_FormattedValue(expr_ty value, int conversion, expr_ty format_spec, + int lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define JoinedStr(a0, a1, a2, a3, a4, a5) _Py_JoinedStr(a0, a1, a2, a3, a4, a5) +expr_ty _Py_JoinedStr(asdl_seq * values, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena *arena); +#define Constant(a0, a1, a2, a3, a4, a5, a6) _Py_Constant(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_Constant(constant value, string kind, int lineno, int col_offset, + int end_lineno, int end_col_offset, PyArena *arena); +#define Attribute(a0, a1, a2, a3, a4, a5, a6, a7) _Py_Attribute(a0, a1, a2, a3, a4, a5, a6, a7) +expr_ty _Py_Attribute(expr_ty value, identifier attr, expr_context_ty ctx, int + lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define Subscript(a0, a1, a2, a3, a4, a5, a6, a7) _Py_Subscript(a0, a1, a2, a3, a4, a5, a6, a7) +expr_ty _Py_Subscript(expr_ty value, slice_ty slice, expr_context_ty ctx, int + lineno, int col_offset, int end_lineno, int + end_col_offset, PyArena *arena); +#define Starred(a0, a1, a2, a3, a4, a5, a6) _Py_Starred(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_Starred(expr_ty value, expr_context_ty ctx, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define Name(a0, a1, a2, a3, a4, a5, a6) _Py_Name(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_Name(identifier id, expr_context_ty ctx, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define List(a0, a1, a2, a3, a4, a5, a6) _Py_List(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_List(asdl_seq * elts, expr_context_ty ctx, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define Tuple(a0, a1, a2, a3, a4, a5, a6) _Py_Tuple(a0, a1, a2, a3, a4, a5, a6) +expr_ty _Py_Tuple(asdl_seq * elts, expr_context_ty ctx, int lineno, int + col_offset, int end_lineno, int end_col_offset, PyArena + *arena); +#define Slice(a0, a1, a2, a3) _Py_Slice(a0, a1, a2, a3) +slice_ty _Py_Slice(expr_ty lower, expr_ty upper, expr_ty step, PyArena *arena); +#define ExtSlice(a0, a1) _Py_ExtSlice(a0, a1) +slice_ty _Py_ExtSlice(asdl_seq * dims, PyArena *arena); +#define Index(a0, a1) _Py_Index(a0, a1) +slice_ty _Py_Index(expr_ty value, PyArena *arena); +#define comprehension(a0, a1, a2, a3, a4) _Py_comprehension(a0, a1, a2, a3, a4) +comprehension_ty _Py_comprehension(expr_ty target, expr_ty iter, asdl_seq * + ifs, int is_async, PyArena *arena); +#define ExceptHandler(a0, a1, a2, a3, a4, a5, a6, a7) _Py_ExceptHandler(a0, a1, a2, a3, a4, a5, a6, a7) +excepthandler_ty _Py_ExceptHandler(expr_ty type, identifier name, asdl_seq * + body, int lineno, int col_offset, int + end_lineno, int end_col_offset, PyArena + *arena); +#define arguments(a0, a1, a2, a3, a4, a5, a6, a7) _Py_arguments(a0, a1, a2, a3, a4, a5, a6, a7) +arguments_ty _Py_arguments(asdl_seq * posonlyargs, asdl_seq * args, arg_ty + vararg, asdl_seq * kwonlyargs, asdl_seq * + kw_defaults, arg_ty kwarg, asdl_seq * defaults, + PyArena *arena); +#define arg(a0, a1, a2, a3, a4, a5, a6, a7) _Py_arg(a0, a1, a2, a3, a4, a5, a6, a7) +arg_ty _Py_arg(identifier arg, expr_ty annotation, string type_comment, int + lineno, int col_offset, int end_lineno, int end_col_offset, + PyArena *arena); +#define keyword(a0, a1, a2) _Py_keyword(a0, a1, a2) +keyword_ty _Py_keyword(identifier arg, expr_ty value, PyArena *arena); +#define alias(a0, a1, a2) _Py_alias(a0, a1, a2) +alias_ty _Py_alias(identifier name, identifier asname, PyArena *arena); +#define withitem(a0, a1, a2) _Py_withitem(a0, a1, a2) +withitem_ty _Py_withitem(expr_ty context_expr, expr_ty optional_vars, PyArena + *arena); +#define TypeIgnore(a0, a1, a2) _Py_TypeIgnore(a0, a1, a2) +type_ignore_ty _Py_TypeIgnore(int lineno, string tag, PyArena *arena); + +PyObject* PyAST_mod2obj(mod_ty t); +mod_ty PyAST_obj2mod(PyObject* ast, PyArena* arena, int mode); +int PyAST_Check(PyObject* obj); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_PYTHON_AST_H */ diff --git a/python-headers-win/Include/Python.h b/python-headers-win/Include/Python.h new file mode 100644 index 000000000..d6e5b139a --- /dev/null +++ b/python-headers-win/Include/Python.h @@ -0,0 +1,160 @@ +#ifndef Py_PYTHON_H +#define Py_PYTHON_H +/* Since this is a "meta-include" file, no #ifdef __cplusplus / extern "C" { */ + +/* Include nearly all Python header files */ + +#include "patchlevel.h" +#include "pyconfig.h" +#include "pymacconfig.h" + +#include + +#ifndef UCHAR_MAX +#error "Something's broken. UCHAR_MAX should be defined in limits.h." +#endif + +#if UCHAR_MAX != 255 +#error "Python's source code assumes C's unsigned char is an 8-bit type." +#endif + +#if defined(__sgi) && !defined(_SGI_MP_SOURCE) +#define _SGI_MP_SOURCE +#endif + +#include +#ifndef NULL +# error "Python.h requires that stdio.h define NULL." +#endif + +#include +#ifdef HAVE_ERRNO_H +#include +#endif +#include +#ifndef MS_WINDOWS +#include +#endif +#ifdef HAVE_CRYPT_H +#if defined(HAVE_CRYPT_R) && !defined(_GNU_SOURCE) +/* Required for glibc to expose the crypt_r() function prototype. */ +# define _GNU_SOURCE +# define _Py_GNU_SOURCE_FOR_CRYPT +#endif +#include +#ifdef _Py_GNU_SOURCE_FOR_CRYPT +/* Don't leak the _GNU_SOURCE define to other headers. */ +# undef _GNU_SOURCE +# undef _Py_GNU_SOURCE_FOR_CRYPT +#endif +#endif + +/* For size_t? */ +#ifdef HAVE_STDDEF_H +#include +#endif + +/* CAUTION: Build setups should ensure that NDEBUG is defined on the + * compiler command line when building Python in release mode; else + * assert() calls won't be removed. + */ +#include + +#include "pyport.h" +#include "pymacro.h" + +/* A convenient way for code to know if clang's memory sanitizer is enabled. */ +#if defined(__has_feature) +# if __has_feature(memory_sanitizer) +# if !defined(_Py_MEMORY_SANITIZER) +# define _Py_MEMORY_SANITIZER +# endif +# endif +#endif + +/* Debug-mode build with pymalloc implies PYMALLOC_DEBUG. + * PYMALLOC_DEBUG is in error if pymalloc is not in use. + */ +#if defined(Py_DEBUG) && defined(WITH_PYMALLOC) && !defined(PYMALLOC_DEBUG) +#define PYMALLOC_DEBUG +#endif +#if defined(PYMALLOC_DEBUG) && !defined(WITH_PYMALLOC) +#error "PYMALLOC_DEBUG requires WITH_PYMALLOC" +#endif +#include "pymath.h" +#include "pytime.h" +#include "pymem.h" + +#include "object.h" +#include "objimpl.h" +#include "typeslots.h" +#include "pyhash.h" + +#include "pydebug.h" + +#include "bytearrayobject.h" +#include "bytesobject.h" +#include "unicodeobject.h" +#include "longobject.h" +#include "longintrepr.h" +#include "boolobject.h" +#include "floatobject.h" +#include "complexobject.h" +#include "rangeobject.h" +#include "memoryobject.h" +#include "tupleobject.h" +#include "listobject.h" +#include "dictobject.h" +#include "odictobject.h" +#include "enumobject.h" +#include "setobject.h" +#include "methodobject.h" +#include "moduleobject.h" +#include "funcobject.h" +#include "classobject.h" +#include "fileobject.h" +#include "pycapsule.h" +#include "traceback.h" +#include "sliceobject.h" +#include "cellobject.h" +#include "iterobject.h" +#include "genobject.h" +#include "descrobject.h" +#include "warnings.h" +#include "weakrefobject.h" +#include "structseq.h" +#include "namespaceobject.h" +#include "picklebufobject.h" + +#include "codecs.h" +#include "pyerrors.h" + +#include "cpython/initconfig.h" +#include "pystate.h" +#include "context.h" + +#include "pyarena.h" +#include "modsupport.h" +#include "compile.h" +#include "pythonrun.h" +#include "pylifecycle.h" +#include "ceval.h" +#include "sysmodule.h" +#include "osmodule.h" +#include "intrcheck.h" +#include "import.h" + +#include "abstract.h" +#include "bltinmodule.h" + +#include "eval.h" + +#include "pyctype.h" +#include "pystrtod.h" +#include "pystrcmp.h" +#include "dtoa.h" +#include "fileutils.h" +#include "pyfpe.h" +#include "tracemalloc.h" + +#endif /* !Py_PYTHON_H */ diff --git a/python-headers-win/Include/abstract.h b/python-headers-win/Include/abstract.h new file mode 100644 index 000000000..777fd7077 --- /dev/null +++ b/python-headers-win/Include/abstract.h @@ -0,0 +1,844 @@ +/* Abstract Object Interface (many thanks to Jim Fulton) */ + +#ifndef Py_ABSTRACTOBJECT_H +#define Py_ABSTRACTOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +/* === Object Protocol ================================================== */ + +/* Implemented elsewhere: + + int PyObject_Print(PyObject *o, FILE *fp, int flags); + + Print an object 'o' on file 'fp'. Returns -1 on error. The flags argument + is used to enable certain printing options. The only option currently + supported is Py_Print_RAW. + + (What should be said about Py_Print_RAW?). */ + + +/* Implemented elsewhere: + + int PyObject_HasAttrString(PyObject *o, const char *attr_name); + + Returns 1 if object 'o' has the attribute attr_name, and 0 otherwise. + + This is equivalent to the Python expression: hasattr(o,attr_name). + + This function always succeeds. */ + + +/* Implemented elsewhere: + + PyObject* PyObject_GetAttrString(PyObject *o, const char *attr_name); + + Retrieve an attributed named attr_name form object o. + Returns the attribute value on success, or NULL on failure. + + This is the equivalent of the Python expression: o.attr_name. */ + + +/* Implemented elsewhere: + + int PyObject_HasAttr(PyObject *o, PyObject *attr_name); + + Returns 1 if o has the attribute attr_name, and 0 otherwise. + + This is equivalent to the Python expression: hasattr(o,attr_name). + + This function always succeeds. */ + +/* Implemented elsewhere: + + PyObject* PyObject_GetAttr(PyObject *o, PyObject *attr_name); + + Retrieve an attributed named 'attr_name' form object 'o'. + Returns the attribute value on success, or NULL on failure. + + This is the equivalent of the Python expression: o.attr_name. */ + + +/* Implemented elsewhere: + + int PyObject_SetAttrString(PyObject *o, const char *attr_name, PyObject *v); + + Set the value of the attribute named attr_name, for object 'o', + to the value 'v'. Raise an exception and return -1 on failure; return 0 on + success. + + This is the equivalent of the Python statement o.attr_name=v. */ + + +/* Implemented elsewhere: + + int PyObject_SetAttr(PyObject *o, PyObject *attr_name, PyObject *v); + + Set the value of the attribute named attr_name, for object 'o', to the value + 'v'. an exception and return -1 on failure; return 0 on success. + + This is the equivalent of the Python statement o.attr_name=v. */ + +/* Implemented as a macro: + + int PyObject_DelAttrString(PyObject *o, const char *attr_name); + + Delete attribute named attr_name, for object o. Returns + -1 on failure. + + This is the equivalent of the Python statement: del o.attr_name. */ +#define PyObject_DelAttrString(O,A) PyObject_SetAttrString((O),(A), NULL) + + +/* Implemented as a macro: + + int PyObject_DelAttr(PyObject *o, PyObject *attr_name); + + Delete attribute named attr_name, for object o. Returns -1 + on failure. This is the equivalent of the Python + statement: del o.attr_name. */ +#define PyObject_DelAttr(O,A) PyObject_SetAttr((O),(A), NULL) + + +/* Implemented elsewhere: + + PyObject *PyObject_Repr(PyObject *o); + + Compute the string representation of object 'o'. Returns the + string representation on success, NULL on failure. + + This is the equivalent of the Python expression: repr(o). + + Called by the repr() built-in function. */ + + +/* Implemented elsewhere: + + PyObject *PyObject_Str(PyObject *o); + + Compute the string representation of object, o. Returns the + string representation on success, NULL on failure. + + This is the equivalent of the Python expression: str(o). + + Called by the str() and print() built-in functions. */ + + +/* Declared elsewhere + + PyAPI_FUNC(int) PyCallable_Check(PyObject *o); + + Determine if the object, o, is callable. Return 1 if the object is callable + and 0 otherwise. + + This function always succeeds. */ + + +#ifdef PY_SSIZE_T_CLEAN +# define PyObject_CallFunction _PyObject_CallFunction_SizeT +# define PyObject_CallMethod _PyObject_CallMethod_SizeT +#endif + + +/* Call a callable Python object 'callable' with arguments given by the + tuple 'args' and keywords arguments given by the dictionary 'kwargs'. + + 'args' must not be NULL, use an empty tuple if no arguments are + needed. If no named arguments are needed, 'kwargs' can be NULL. + + This is the equivalent of the Python expression: + callable(*args, **kwargs). */ +PyAPI_FUNC(PyObject *) PyObject_Call(PyObject *callable, + PyObject *args, PyObject *kwargs); + + +/* Call a callable Python object 'callable', with arguments given by the + tuple 'args'. If no arguments are needed, then 'args' can be NULL. + + Returns the result of the call on success, or NULL on failure. + + This is the equivalent of the Python expression: + callable(*args). */ +PyAPI_FUNC(PyObject *) PyObject_CallObject(PyObject *callable, + PyObject *args); + +/* Call a callable Python object, callable, with a variable number of C + arguments. The C arguments are described using a mkvalue-style format + string. + + The format may be NULL, indicating that no arguments are provided. + + Returns the result of the call on success, or NULL on failure. + + This is the equivalent of the Python expression: + callable(arg1, arg2, ...). */ +PyAPI_FUNC(PyObject *) PyObject_CallFunction(PyObject *callable, + const char *format, ...); + +/* Call the method named 'name' of object 'obj' with a variable number of + C arguments. The C arguments are described by a mkvalue format string. + + The format can be NULL, indicating that no arguments are provided. + + Returns the result of the call on success, or NULL on failure. + + This is the equivalent of the Python expression: + obj.name(arg1, arg2, ...). */ +PyAPI_FUNC(PyObject *) PyObject_CallMethod(PyObject *obj, + const char *name, + const char *format, ...); + +PyAPI_FUNC(PyObject *) _PyObject_CallFunction_SizeT(PyObject *callable, + const char *format, + ...); + +PyAPI_FUNC(PyObject *) _PyObject_CallMethod_SizeT(PyObject *obj, + const char *name, + const char *format, + ...); + +/* Call a callable Python object 'callable' with a variable number of C + arguments. The C arguments are provided as PyObject* values, terminated + by a NULL. + + Returns the result of the call on success, or NULL on failure. + + This is the equivalent of the Python expression: + callable(arg1, arg2, ...). */ +PyAPI_FUNC(PyObject *) PyObject_CallFunctionObjArgs(PyObject *callable, + ...); + +/* Call the method named 'name' of object 'obj' with a variable number of + C arguments. The C arguments are provided as PyObject* values, terminated + by NULL. + + Returns the result of the call on success, or NULL on failure. + + This is the equivalent of the Python expression: obj.name(*args). */ + +PyAPI_FUNC(PyObject *) PyObject_CallMethodObjArgs( + PyObject *obj, + PyObject *name, + ...); + + +/* Implemented elsewhere: + + Py_hash_t PyObject_Hash(PyObject *o); + + Compute and return the hash, hash_value, of an object, o. On + failure, return -1. + + This is the equivalent of the Python expression: hash(o). */ + + +/* Implemented elsewhere: + + int PyObject_IsTrue(PyObject *o); + + Returns 1 if the object, o, is considered to be true, 0 if o is + considered to be false and -1 on failure. + + This is equivalent to the Python expression: not not o. */ + + +/* Implemented elsewhere: + + int PyObject_Not(PyObject *o); + + Returns 0 if the object, o, is considered to be true, 1 if o is + considered to be false and -1 on failure. + + This is equivalent to the Python expression: not o. */ + + +/* Get the type of an object. + + On success, returns a type object corresponding to the object type of object + 'o'. On failure, returns NULL. + + This is equivalent to the Python expression: type(o) */ +PyAPI_FUNC(PyObject *) PyObject_Type(PyObject *o); + + +/* Return the size of object 'o'. If the object 'o' provides both sequence and + mapping protocols, the sequence size is returned. + + On error, -1 is returned. + + This is the equivalent to the Python expression: len(o) */ +PyAPI_FUNC(Py_ssize_t) PyObject_Size(PyObject *o); + + +/* For DLL compatibility */ +#undef PyObject_Length +PyAPI_FUNC(Py_ssize_t) PyObject_Length(PyObject *o); +#define PyObject_Length PyObject_Size + +/* Return element of 'o' corresponding to the object 'key'. Return NULL + on failure. + + This is the equivalent of the Python expression: o[key] */ +PyAPI_FUNC(PyObject *) PyObject_GetItem(PyObject *o, PyObject *key); + + +/* Map the object 'key' to the value 'v' into 'o'. + + Raise an exception and return -1 on failure; return 0 on success. + + This is the equivalent of the Python statement: o[key]=v. */ +PyAPI_FUNC(int) PyObject_SetItem(PyObject *o, PyObject *key, PyObject *v); + +/* Remove the mapping for the string 'key' from the object 'o'. + Returns -1 on failure. + + This is equivalent to the Python statement: del o[key]. */ +PyAPI_FUNC(int) PyObject_DelItemString(PyObject *o, const char *key); + +/* Delete the mapping for the object 'key' from the object 'o'. + Returns -1 on failure. + + This is the equivalent of the Python statement: del o[key]. */ +PyAPI_FUNC(int) PyObject_DelItem(PyObject *o, PyObject *key); + + +/* === Old Buffer API ============================================ */ + +/* FIXME: usage of these should all be replaced in Python itself + but for backwards compatibility we will implement them. + Their usage without a corresponding "unlock" mechanism + may create issues (but they would already be there). */ + +/* Takes an arbitrary object which must support the (character, single segment) + buffer interface and returns a pointer to a read-only memory location + useable as character based input for subsequent processing. + + Return 0 on success. buffer and buffer_len are only set in case no error + occurs. Otherwise, -1 is returned and an exception set. */ +Py_DEPRECATED(3.0) +PyAPI_FUNC(int) PyObject_AsCharBuffer(PyObject *obj, + const char **buffer, + Py_ssize_t *buffer_len); + +/* Checks whether an arbitrary object supports the (character, single segment) + buffer interface. + + Returns 1 on success, 0 on failure. */ +Py_DEPRECATED(3.0) PyAPI_FUNC(int) PyObject_CheckReadBuffer(PyObject *obj); + +/* Same as PyObject_AsCharBuffer() except that this API expects (readable, + single segment) buffer interface and returns a pointer to a read-only memory + location which can contain arbitrary data. + + 0 is returned on success. buffer and buffer_len are only set in case no + error occurs. Otherwise, -1 is returned and an exception set. */ +Py_DEPRECATED(3.0) +PyAPI_FUNC(int) PyObject_AsReadBuffer(PyObject *obj, + const void **buffer, + Py_ssize_t *buffer_len); + +/* Takes an arbitrary object which must support the (writable, single segment) + buffer interface and returns a pointer to a writable memory location in + buffer of size 'buffer_len'. + + Return 0 on success. buffer and buffer_len are only set in case no error + occurs. Otherwise, -1 is returned and an exception set. */ +Py_DEPRECATED(3.0) +PyAPI_FUNC(int) PyObject_AsWriteBuffer(PyObject *obj, + void **buffer, + Py_ssize_t *buffer_len); + + +/* === New Buffer API ============================================ */ + +/* Takes an arbitrary object and returns the result of calling + obj.__format__(format_spec). */ +PyAPI_FUNC(PyObject *) PyObject_Format(PyObject *obj, + PyObject *format_spec); + + +/* ==== Iterators ================================================ */ + +/* Takes an object and returns an iterator for it. + This is typically a new iterator but if the argument is an iterator, this + returns itself. */ +PyAPI_FUNC(PyObject *) PyObject_GetIter(PyObject *); + +/* Returns 1 if the object 'obj' provides iterator protocols, and 0 otherwise. + + This function always succeeds. */ +PyAPI_FUNC(int) PyIter_Check(PyObject *); + +/* Takes an iterator object and calls its tp_iternext slot, + returning the next value. + + If the iterator is exhausted, this returns NULL without setting an + exception. + + NULL with an exception means an error occurred. */ +PyAPI_FUNC(PyObject *) PyIter_Next(PyObject *); + + +/* === Number Protocol ================================================== */ + +/* Returns 1 if the object 'o' provides numeric protocols, and 0 otherwise. + + This function always succeeds. */ +PyAPI_FUNC(int) PyNumber_Check(PyObject *o); + +/* Returns the result of adding o1 and o2, or NULL on failure. + + This is the equivalent of the Python expression: o1 + o2. */ +PyAPI_FUNC(PyObject *) PyNumber_Add(PyObject *o1, PyObject *o2); + +/* Returns the result of subtracting o2 from o1, or NULL on failure. + + This is the equivalent of the Python expression: o1 - o2. */ +PyAPI_FUNC(PyObject *) PyNumber_Subtract(PyObject *o1, PyObject *o2); + +/* Returns the result of multiplying o1 and o2, or NULL on failure. + + This is the equivalent of the Python expression: o1 * o2. */ +PyAPI_FUNC(PyObject *) PyNumber_Multiply(PyObject *o1, PyObject *o2); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +/* This is the equivalent of the Python expression: o1 @ o2. */ +PyAPI_FUNC(PyObject *) PyNumber_MatrixMultiply(PyObject *o1, PyObject *o2); +#endif + +/* Returns the result of dividing o1 by o2 giving an integral result, + or NULL on failure. + + This is the equivalent of the Python expression: o1 // o2. */ +PyAPI_FUNC(PyObject *) PyNumber_FloorDivide(PyObject *o1, PyObject *o2); + +/* Returns the result of dividing o1 by o2 giving a float result, or NULL on + failure. + + This is the equivalent of the Python expression: o1 / o2. */ +PyAPI_FUNC(PyObject *) PyNumber_TrueDivide(PyObject *o1, PyObject *o2); + +/* Returns the remainder of dividing o1 by o2, or NULL on failure. + + This is the equivalent of the Python expression: o1 % o2. */ +PyAPI_FUNC(PyObject *) PyNumber_Remainder(PyObject *o1, PyObject *o2); + +/* See the built-in function divmod. + + Returns NULL on failure. + + This is the equivalent of the Python expression: divmod(o1, o2). */ +PyAPI_FUNC(PyObject *) PyNumber_Divmod(PyObject *o1, PyObject *o2); + +/* See the built-in function pow. Returns NULL on failure. + + This is the equivalent of the Python expression: pow(o1, o2, o3), + where o3 is optional. */ +PyAPI_FUNC(PyObject *) PyNumber_Power(PyObject *o1, PyObject *o2, + PyObject *o3); + +/* Returns the negation of o on success, or NULL on failure. + + This is the equivalent of the Python expression: -o. */ +PyAPI_FUNC(PyObject *) PyNumber_Negative(PyObject *o); + +/* Returns the positive of o on success, or NULL on failure. + + This is the equivalent of the Python expression: +o. */ +PyAPI_FUNC(PyObject *) PyNumber_Positive(PyObject *o); + +/* Returns the absolute value of 'o', or NULL on failure. + + This is the equivalent of the Python expression: abs(o). */ +PyAPI_FUNC(PyObject *) PyNumber_Absolute(PyObject *o); + +/* Returns the bitwise negation of 'o' on success, or NULL on failure. + + This is the equivalent of the Python expression: ~o. */ +PyAPI_FUNC(PyObject *) PyNumber_Invert(PyObject *o); + +/* Returns the result of left shifting o1 by o2 on success, or NULL on failure. + + This is the equivalent of the Python expression: o1 << o2. */ +PyAPI_FUNC(PyObject *) PyNumber_Lshift(PyObject *o1, PyObject *o2); + +/* Returns the result of right shifting o1 by o2 on success, or NULL on + failure. + + This is the equivalent of the Python expression: o1 >> o2. */ +PyAPI_FUNC(PyObject *) PyNumber_Rshift(PyObject *o1, PyObject *o2); + +/* Returns the result of bitwise and of o1 and o2 on success, or NULL on + failure. + + This is the equivalent of the Python expression: o1 & o2. */ +PyAPI_FUNC(PyObject *) PyNumber_And(PyObject *o1, PyObject *o2); + +/* Returns the bitwise exclusive or of o1 by o2 on success, or NULL on failure. + + This is the equivalent of the Python expression: o1 ^ o2. */ +PyAPI_FUNC(PyObject *) PyNumber_Xor(PyObject *o1, PyObject *o2); + +/* Returns the result of bitwise or on o1 and o2 on success, or NULL on + failure. + + This is the equivalent of the Python expression: o1 | o2. */ +PyAPI_FUNC(PyObject *) PyNumber_Or(PyObject *o1, PyObject *o2); + +/* Returns 1 if obj is an index integer (has the nb_index slot of the + tp_as_number structure filled in), and 0 otherwise. */ +PyAPI_FUNC(int) PyIndex_Check(PyObject *); + +/* Returns the object 'o' converted to a Python int, or NULL with an exception + raised on failure. */ +PyAPI_FUNC(PyObject *) PyNumber_Index(PyObject *o); + +/* Returns the object 'o' converted to Py_ssize_t by going through + PyNumber_Index() first. + + If an overflow error occurs while converting the int to Py_ssize_t, then the + second argument 'exc' is the error-type to return. If it is NULL, then the + overflow error is cleared and the value is clipped. */ +PyAPI_FUNC(Py_ssize_t) PyNumber_AsSsize_t(PyObject *o, PyObject *exc); + +/* Returns the object 'o' converted to an integer object on success, or NULL + on failure. + + This is the equivalent of the Python expression: int(o). */ +PyAPI_FUNC(PyObject *) PyNumber_Long(PyObject *o); + +/* Returns the object 'o' converted to a float object on success, or NULL + on failure. + + This is the equivalent of the Python expression: float(o). */ +PyAPI_FUNC(PyObject *) PyNumber_Float(PyObject *o); + + +/* --- In-place variants of (some of) the above number protocol functions -- */ + +/* Returns the result of adding o2 to o1, possibly in-place, or NULL + on failure. + + This is the equivalent of the Python expression: o1 += o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceAdd(PyObject *o1, PyObject *o2); + +/* Returns the result of subtracting o2 from o1, possibly in-place or + NULL on failure. + + This is the equivalent of the Python expression: o1 -= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceSubtract(PyObject *o1, PyObject *o2); + +/* Returns the result of multiplying o1 by o2, possibly in-place, or NULL on + failure. + + This is the equivalent of the Python expression: o1 *= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceMultiply(PyObject *o1, PyObject *o2); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +/* This is the equivalent of the Python expression: o1 @= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceMatrixMultiply(PyObject *o1, PyObject *o2); +#endif + +/* Returns the result of dividing o1 by o2 giving an integral result, possibly + in-place, or NULL on failure. + + This is the equivalent of the Python expression: o1 /= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceFloorDivide(PyObject *o1, + PyObject *o2); + +/* Returns the result of dividing o1 by o2 giving a float result, possibly + in-place, or null on failure. + + This is the equivalent of the Python expression: o1 /= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceTrueDivide(PyObject *o1, + PyObject *o2); + +/* Returns the remainder of dividing o1 by o2, possibly in-place, or NULL on + failure. + + This is the equivalent of the Python expression: o1 %= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceRemainder(PyObject *o1, PyObject *o2); + +/* Returns the result of raising o1 to the power of o2, possibly in-place, + or NULL on failure. + + This is the equivalent of the Python expression: o1 **= o2, + or o1 = pow(o1, o2, o3) if o3 is present. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlacePower(PyObject *o1, PyObject *o2, + PyObject *o3); + +/* Returns the result of left shifting o1 by o2, possibly in-place, or NULL + on failure. + + This is the equivalent of the Python expression: o1 <<= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceLshift(PyObject *o1, PyObject *o2); + +/* Returns the result of right shifting o1 by o2, possibly in-place or NULL + on failure. + + This is the equivalent of the Python expression: o1 >>= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceRshift(PyObject *o1, PyObject *o2); + +/* Returns the result of bitwise and of o1 and o2, possibly in-place, or NULL + on failure. + + This is the equivalent of the Python expression: o1 &= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceAnd(PyObject *o1, PyObject *o2); + +/* Returns the bitwise exclusive or of o1 by o2, possibly in-place, or NULL + on failure. + + This is the equivalent of the Python expression: o1 ^= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceXor(PyObject *o1, PyObject *o2); + +/* Returns the result of bitwise or of o1 and o2, possibly in-place, + or NULL on failure. + + This is the equivalent of the Python expression: o1 |= o2. */ +PyAPI_FUNC(PyObject *) PyNumber_InPlaceOr(PyObject *o1, PyObject *o2); + +/* Returns the integer n converted to a string with a base, with a base + marker of 0b, 0o or 0x prefixed if applicable. + + If n is not an int object, it is converted with PyNumber_Index first. */ +PyAPI_FUNC(PyObject *) PyNumber_ToBase(PyObject *n, int base); + + +/* === Sequence protocol ================================================ */ + +/* Return 1 if the object provides sequence protocol, and zero + otherwise. + + This function always succeeds. */ +PyAPI_FUNC(int) PySequence_Check(PyObject *o); + +/* Return the size of sequence object o, or -1 on failure. */ +PyAPI_FUNC(Py_ssize_t) PySequence_Size(PyObject *o); + +/* For DLL compatibility */ +#undef PySequence_Length +PyAPI_FUNC(Py_ssize_t) PySequence_Length(PyObject *o); +#define PySequence_Length PySequence_Size + + +/* Return the concatenation of o1 and o2 on success, and NULL on failure. + + This is the equivalent of the Python expression: o1 + o2. */ +PyAPI_FUNC(PyObject *) PySequence_Concat(PyObject *o1, PyObject *o2); + +/* Return the result of repeating sequence object 'o' 'count' times, + or NULL on failure. + + This is the equivalent of the Python expression: o * count. */ +PyAPI_FUNC(PyObject *) PySequence_Repeat(PyObject *o, Py_ssize_t count); + +/* Return the ith element of o, or NULL on failure. + + This is the equivalent of the Python expression: o[i]. */ +PyAPI_FUNC(PyObject *) PySequence_GetItem(PyObject *o, Py_ssize_t i); + +/* Return the slice of sequence object o between i1 and i2, or NULL on failure. + + This is the equivalent of the Python expression: o[i1:i2]. */ +PyAPI_FUNC(PyObject *) PySequence_GetSlice(PyObject *o, Py_ssize_t i1, Py_ssize_t i2); + +/* Assign object 'v' to the ith element of the sequence 'o'. Raise an exception + and return -1 on failure; return 0 on success. + + This is the equivalent of the Python statement o[i] = v. */ +PyAPI_FUNC(int) PySequence_SetItem(PyObject *o, Py_ssize_t i, PyObject *v); + +/* Delete the 'i'-th element of the sequence 'v'. Returns -1 on failure. + + This is the equivalent of the Python statement: del o[i]. */ +PyAPI_FUNC(int) PySequence_DelItem(PyObject *o, Py_ssize_t i); + +/* Assign the sequence object 'v' to the slice in sequence object 'o', + from 'i1' to 'i2'. Returns -1 on failure. + + This is the equivalent of the Python statement: o[i1:i2] = v. */ +PyAPI_FUNC(int) PySequence_SetSlice(PyObject *o, Py_ssize_t i1, Py_ssize_t i2, + PyObject *v); + +/* Delete the slice in sequence object 'o' from 'i1' to 'i2'. + Returns -1 on failure. + + This is the equivalent of the Python statement: del o[i1:i2]. */ +PyAPI_FUNC(int) PySequence_DelSlice(PyObject *o, Py_ssize_t i1, Py_ssize_t i2); + +/* Returns the sequence 'o' as a tuple on success, and NULL on failure. + + This is equivalent to the Python expression: tuple(o). */ +PyAPI_FUNC(PyObject *) PySequence_Tuple(PyObject *o); + +/* Returns the sequence 'o' as a list on success, and NULL on failure. + This is equivalent to the Python expression: list(o) */ +PyAPI_FUNC(PyObject *) PySequence_List(PyObject *o); + +/* Return the sequence 'o' as a list, unless it's already a tuple or list. + + Use PySequence_Fast_GET_ITEM to access the members of this list, and + PySequence_Fast_GET_SIZE to get its length. + + Returns NULL on failure. If the object does not support iteration, raises a + TypeError exception with 'm' as the message text. */ +PyAPI_FUNC(PyObject *) PySequence_Fast(PyObject *o, const char* m); + +/* Return the size of the sequence 'o', assuming that 'o' was returned by + PySequence_Fast and is not NULL. */ +#define PySequence_Fast_GET_SIZE(o) \ + (PyList_Check(o) ? PyList_GET_SIZE(o) : PyTuple_GET_SIZE(o)) + +/* Return the 'i'-th element of the sequence 'o', assuming that o was returned + by PySequence_Fast, and that i is within bounds. */ +#define PySequence_Fast_GET_ITEM(o, i)\ + (PyList_Check(o) ? PyList_GET_ITEM(o, i) : PyTuple_GET_ITEM(o, i)) + +/* Return a pointer to the underlying item array for + an object retured by PySequence_Fast */ +#define PySequence_Fast_ITEMS(sf) \ + (PyList_Check(sf) ? ((PyListObject *)(sf))->ob_item \ + : ((PyTupleObject *)(sf))->ob_item) + +/* Return the number of occurrences on value on 'o', that is, return + the number of keys for which o[key] == value. + + On failure, return -1. This is equivalent to the Python expression: + o.count(value). */ +PyAPI_FUNC(Py_ssize_t) PySequence_Count(PyObject *o, PyObject *value); + +/* Return 1 if 'ob' is in the sequence 'seq'; 0 if 'ob' is not in the sequence + 'seq'; -1 on error. + + Use __contains__ if possible, else _PySequence_IterSearch(). */ +PyAPI_FUNC(int) PySequence_Contains(PyObject *seq, PyObject *ob); + +/* For DLL-level backwards compatibility */ +#undef PySequence_In +/* Determine if the sequence 'o' contains 'value'. If an item in 'o' is equal + to 'value', return 1, otherwise return 0. On error, return -1. + + This is equivalent to the Python expression: value in o. */ +PyAPI_FUNC(int) PySequence_In(PyObject *o, PyObject *value); + +/* For source-level backwards compatibility */ +#define PySequence_In PySequence_Contains + + +/* Return the first index for which o[i] == value. + On error, return -1. + + This is equivalent to the Python expression: o.index(value). */ +PyAPI_FUNC(Py_ssize_t) PySequence_Index(PyObject *o, PyObject *value); + + +/* --- In-place versions of some of the above Sequence functions --- */ + +/* Append sequence 'o2' to sequence 'o1', in-place when possible. Return the + resulting object, which could be 'o1', or NULL on failure. + + This is the equivalent of the Python expression: o1 += o2. */ +PyAPI_FUNC(PyObject *) PySequence_InPlaceConcat(PyObject *o1, PyObject *o2); + +/* Repeat sequence 'o' by 'count', in-place when possible. Return the resulting + object, which could be 'o', or NULL on failure. + + This is the equivalent of the Python expression: o1 *= count. */ +PyAPI_FUNC(PyObject *) PySequence_InPlaceRepeat(PyObject *o, Py_ssize_t count); + + +/* === Mapping protocol ================================================= */ + +/* Return 1 if the object provides mapping protocol, and 0 otherwise. + + This function always succeeds. */ +PyAPI_FUNC(int) PyMapping_Check(PyObject *o); + +/* Returns the number of keys in mapping object 'o' on success, and -1 on + failure. This is equivalent to the Python expression: len(o). */ +PyAPI_FUNC(Py_ssize_t) PyMapping_Size(PyObject *o); + +/* For DLL compatibility */ +#undef PyMapping_Length +PyAPI_FUNC(Py_ssize_t) PyMapping_Length(PyObject *o); +#define PyMapping_Length PyMapping_Size + + +/* Implemented as a macro: + + int PyMapping_DelItemString(PyObject *o, const char *key); + + Remove the mapping for the string 'key' from the mapping 'o'. Returns -1 on + failure. + + This is equivalent to the Python statement: del o[key]. */ +#define PyMapping_DelItemString(O,K) PyObject_DelItemString((O),(K)) + +/* Implemented as a macro: + + int PyMapping_DelItem(PyObject *o, PyObject *key); + + Remove the mapping for the object 'key' from the mapping object 'o'. + Returns -1 on failure. + + This is equivalent to the Python statement: del o[key]. */ +#define PyMapping_DelItem(O,K) PyObject_DelItem((O),(K)) + +/* On success, return 1 if the mapping object 'o' has the key 'key', + and 0 otherwise. + + This is equivalent to the Python expression: key in o. + + This function always succeeds. */ +PyAPI_FUNC(int) PyMapping_HasKeyString(PyObject *o, const char *key); + +/* Return 1 if the mapping object has the key 'key', and 0 otherwise. + + This is equivalent to the Python expression: key in o. + + This function always succeeds. */ +PyAPI_FUNC(int) PyMapping_HasKey(PyObject *o, PyObject *key); + +/* On success, return a list or tuple of the keys in mapping object 'o'. + On failure, return NULL. */ +PyAPI_FUNC(PyObject *) PyMapping_Keys(PyObject *o); + +/* On success, return a list or tuple of the values in mapping object 'o'. + On failure, return NULL. */ +PyAPI_FUNC(PyObject *) PyMapping_Values(PyObject *o); + +/* On success, return a list or tuple of the items in mapping object 'o', + where each item is a tuple containing a key-value pair. On failure, return + NULL. */ +PyAPI_FUNC(PyObject *) PyMapping_Items(PyObject *o); + +/* Return element of 'o' corresponding to the string 'key' or NULL on failure. + + This is the equivalent of the Python expression: o[key]. */ +PyAPI_FUNC(PyObject *) PyMapping_GetItemString(PyObject *o, + const char *key); + +/* Map the string 'key' to the value 'v' in the mapping 'o'. + Returns -1 on failure. + + This is the equivalent of the Python statement: o[key]=v. */ +PyAPI_FUNC(int) PyMapping_SetItemString(PyObject *o, const char *key, + PyObject *value); + +/* isinstance(object, typeorclass) */ +PyAPI_FUNC(int) PyObject_IsInstance(PyObject *object, PyObject *typeorclass); + +/* issubclass(object, typeorclass) */ +PyAPI_FUNC(int) PyObject_IsSubclass(PyObject *object, PyObject *typeorclass); + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_ABSTRACTOBJECT_H +# include "cpython/abstract.h" +# undef Py_CPYTHON_ABSTRACTOBJECT_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* Py_ABSTRACTOBJECT_H */ diff --git a/python-headers-win/Include/asdl.h b/python-headers-win/Include/asdl.h new file mode 100644 index 000000000..fc6d22371 --- /dev/null +++ b/python-headers-win/Include/asdl.h @@ -0,0 +1,46 @@ +#ifndef Py_ASDL_H +#define Py_ASDL_H + +typedef PyObject * identifier; +typedef PyObject * string; +typedef PyObject * bytes; +typedef PyObject * object; +typedef PyObject * singleton; +typedef PyObject * constant; + +/* It would be nice if the code generated by asdl_c.py was completely + independent of Python, but it is a goal the requires too much work + at this stage. So, for example, I'll represent identifiers as + interned Python strings. +*/ + +/* XXX A sequence should be typed so that its use can be typechecked. */ + +typedef struct { + Py_ssize_t size; + void *elements[1]; +} asdl_seq; + +typedef struct { + Py_ssize_t size; + int elements[1]; +} asdl_int_seq; + +asdl_seq *_Py_asdl_seq_new(Py_ssize_t size, PyArena *arena); +asdl_int_seq *_Py_asdl_int_seq_new(Py_ssize_t size, PyArena *arena); + +#define asdl_seq_GET(S, I) (S)->elements[(I)] +#define asdl_seq_LEN(S) ((S) == NULL ? 0 : (S)->size) +#ifdef Py_DEBUG +#define asdl_seq_SET(S, I, V) \ + do { \ + Py_ssize_t _asdl_i = (I); \ + assert((S) != NULL); \ + assert(0 <= _asdl_i && _asdl_i < (S)->size); \ + (S)->elements[_asdl_i] = (V); \ + } while (0) +#else +#define asdl_seq_SET(S, I, V) (S)->elements[I] = (V) +#endif + +#endif /* !Py_ASDL_H */ diff --git a/python-headers-win/Include/ast.h b/python-headers-win/Include/ast.h new file mode 100644 index 000000000..f1d734852 --- /dev/null +++ b/python-headers-win/Include/ast.h @@ -0,0 +1,37 @@ +#ifndef Py_AST_H +#define Py_AST_H +#ifdef __cplusplus +extern "C" { +#endif + +#include "Python-ast.h" /* mod_ty */ +#include "node.h" /* node */ + +PyAPI_FUNC(int) PyAST_Validate(mod_ty); +PyAPI_FUNC(mod_ty) PyAST_FromNode( + const node *n, + PyCompilerFlags *flags, + const char *filename, /* decoded from the filesystem encoding */ + PyArena *arena); +PyAPI_FUNC(mod_ty) PyAST_FromNodeObject( + const node *n, + PyCompilerFlags *flags, + PyObject *filename, + PyArena *arena); + +#ifndef Py_LIMITED_API + +/* _PyAST_ExprAsUnicode is defined in ast_unparse.c */ +PyAPI_FUNC(PyObject *) _PyAST_ExprAsUnicode(expr_ty); + +/* Return the borrowed reference to the first literal string in the + sequence of statemnts or NULL if it doesn't start from a literal string. + Doesn't set exception. */ +PyAPI_FUNC(PyObject *) _PyAST_GetDocString(asdl_seq *); + +#endif /* !Py_LIMITED_API */ + +#ifdef __cplusplus +} +#endif +#endif /* !Py_AST_H */ diff --git a/python-headers-win/Include/bitset.h b/python-headers-win/Include/bitset.h new file mode 100644 index 000000000..6a2ac9787 --- /dev/null +++ b/python-headers-win/Include/bitset.h @@ -0,0 +1,23 @@ + +#ifndef Py_BITSET_H +#define Py_BITSET_H +#ifdef __cplusplus +extern "C" { +#endif + +/* Bitset interface */ + +#define BYTE char +typedef BYTE *bitset; + +#define testbit(ss, ibit) (((ss)[BIT2BYTE(ibit)] & BIT2MASK(ibit)) != 0) + +#define BITSPERBYTE (8*sizeof(BYTE)) +#define BIT2BYTE(ibit) ((ibit) / BITSPERBYTE) +#define BIT2SHIFT(ibit) ((ibit) % BITSPERBYTE) +#define BIT2MASK(ibit) (1 << BIT2SHIFT(ibit)) + +#ifdef __cplusplus +} +#endif +#endif /* !Py_BITSET_H */ diff --git a/python-headers-win/Include/bltinmodule.h b/python-headers-win/Include/bltinmodule.h new file mode 100644 index 000000000..868c9e644 --- /dev/null +++ b/python-headers-win/Include/bltinmodule.h @@ -0,0 +1,14 @@ +#ifndef Py_BLTINMODULE_H +#define Py_BLTINMODULE_H +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_DATA(PyTypeObject) PyFilter_Type; +PyAPI_DATA(PyTypeObject) PyMap_Type; +PyAPI_DATA(PyTypeObject) PyZip_Type; + +#ifdef __cplusplus +} +#endif +#endif /* !Py_BLTINMODULE_H */ diff --git a/python-headers-win/Include/boolobject.h b/python-headers-win/Include/boolobject.h new file mode 100644 index 000000000..7cc2f1fe2 --- /dev/null +++ b/python-headers-win/Include/boolobject.h @@ -0,0 +1,34 @@ +/* Boolean object interface */ + +#ifndef Py_BOOLOBJECT_H +#define Py_BOOLOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + + +PyAPI_DATA(PyTypeObject) PyBool_Type; + +#define PyBool_Check(x) (Py_TYPE(x) == &PyBool_Type) + +/* Py_False and Py_True are the only two bools in existence. +Don't forget to apply Py_INCREF() when returning either!!! */ + +/* Don't use these directly */ +PyAPI_DATA(struct _longobject) _Py_FalseStruct, _Py_TrueStruct; + +/* Use these macros */ +#define Py_False ((PyObject *) &_Py_FalseStruct) +#define Py_True ((PyObject *) &_Py_TrueStruct) + +/* Macros for returning Py_True or Py_False, respectively */ +#define Py_RETURN_TRUE return Py_INCREF(Py_True), Py_True +#define Py_RETURN_FALSE return Py_INCREF(Py_False), Py_False + +/* Function to return a bool from a C long */ +PyAPI_FUNC(PyObject *) PyBool_FromLong(long); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_BOOLOBJECT_H */ diff --git a/python-headers-win/Include/bytearrayobject.h b/python-headers-win/Include/bytearrayobject.h new file mode 100644 index 000000000..a757b8805 --- /dev/null +++ b/python-headers-win/Include/bytearrayobject.h @@ -0,0 +1,62 @@ +/* ByteArray object interface */ + +#ifndef Py_BYTEARRAYOBJECT_H +#define Py_BYTEARRAYOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#include + +/* Type PyByteArrayObject represents a mutable array of bytes. + * The Python API is that of a sequence; + * the bytes are mapped to ints in [0, 256). + * Bytes are not characters; they may be used to encode characters. + * The only way to go between bytes and str/unicode is via encoding + * and decoding. + * For the convenience of C programmers, the bytes type is considered + * to contain a char pointer, not an unsigned char pointer. + */ + +/* Object layout */ +#ifndef Py_LIMITED_API +typedef struct { + PyObject_VAR_HEAD + Py_ssize_t ob_alloc; /* How many bytes allocated in ob_bytes */ + char *ob_bytes; /* Physical backing buffer */ + char *ob_start; /* Logical start inside ob_bytes */ + /* XXX(nnorwitz): should ob_exports be Py_ssize_t? */ + int ob_exports; /* How many buffer exports */ +} PyByteArrayObject; +#endif + +/* Type object */ +PyAPI_DATA(PyTypeObject) PyByteArray_Type; +PyAPI_DATA(PyTypeObject) PyByteArrayIter_Type; + +/* Type check macros */ +#define PyByteArray_Check(self) PyObject_TypeCheck(self, &PyByteArray_Type) +#define PyByteArray_CheckExact(self) (Py_TYPE(self) == &PyByteArray_Type) + +/* Direct API functions */ +PyAPI_FUNC(PyObject *) PyByteArray_FromObject(PyObject *); +PyAPI_FUNC(PyObject *) PyByteArray_Concat(PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) PyByteArray_FromStringAndSize(const char *, Py_ssize_t); +PyAPI_FUNC(Py_ssize_t) PyByteArray_Size(PyObject *); +PyAPI_FUNC(char *) PyByteArray_AsString(PyObject *); +PyAPI_FUNC(int) PyByteArray_Resize(PyObject *, Py_ssize_t); + +/* Macros, trading safety for speed */ +#ifndef Py_LIMITED_API +#define PyByteArray_AS_STRING(self) \ + (assert(PyByteArray_Check(self)), \ + Py_SIZE(self) ? ((PyByteArrayObject *)(self))->ob_start : _PyByteArray_empty_string) +#define PyByteArray_GET_SIZE(self) (assert(PyByteArray_Check(self)), Py_SIZE(self)) + +PyAPI_DATA(char) _PyByteArray_empty_string[]; +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_BYTEARRAYOBJECT_H */ diff --git a/python-headers-win/Include/bytes_methods.h b/python-headers-win/Include/bytes_methods.h new file mode 100644 index 000000000..8434a50a4 --- /dev/null +++ b/python-headers-win/Include/bytes_methods.h @@ -0,0 +1,69 @@ +#ifndef Py_LIMITED_API +#ifndef Py_BYTES_CTYPE_H +#define Py_BYTES_CTYPE_H + +/* + * The internal implementation behind PyBytes (bytes) and PyByteArray (bytearray) + * methods of the given names, they operate on ASCII byte strings. + */ +extern PyObject* _Py_bytes_isspace(const char *cptr, Py_ssize_t len); +extern PyObject* _Py_bytes_isalpha(const char *cptr, Py_ssize_t len); +extern PyObject* _Py_bytes_isalnum(const char *cptr, Py_ssize_t len); +extern PyObject* _Py_bytes_isascii(const char *cptr, Py_ssize_t len); +extern PyObject* _Py_bytes_isdigit(const char *cptr, Py_ssize_t len); +extern PyObject* _Py_bytes_islower(const char *cptr, Py_ssize_t len); +extern PyObject* _Py_bytes_isupper(const char *cptr, Py_ssize_t len); +extern PyObject* _Py_bytes_istitle(const char *cptr, Py_ssize_t len); + +/* These store their len sized answer in the given preallocated *result arg. */ +extern void _Py_bytes_lower(char *result, const char *cptr, Py_ssize_t len); +extern void _Py_bytes_upper(char *result, const char *cptr, Py_ssize_t len); +extern void _Py_bytes_title(char *result, const char *s, Py_ssize_t len); +extern void _Py_bytes_capitalize(char *result, const char *s, Py_ssize_t len); +extern void _Py_bytes_swapcase(char *result, const char *s, Py_ssize_t len); + +extern PyObject *_Py_bytes_find(const char *str, Py_ssize_t len, PyObject *args); +extern PyObject *_Py_bytes_index(const char *str, Py_ssize_t len, PyObject *args); +extern PyObject *_Py_bytes_rfind(const char *str, Py_ssize_t len, PyObject *args); +extern PyObject *_Py_bytes_rindex(const char *str, Py_ssize_t len, PyObject *args); +extern PyObject *_Py_bytes_count(const char *str, Py_ssize_t len, PyObject *args); +extern int _Py_bytes_contains(const char *str, Py_ssize_t len, PyObject *arg); +extern PyObject *_Py_bytes_startswith(const char *str, Py_ssize_t len, PyObject *args); +extern PyObject *_Py_bytes_endswith(const char *str, Py_ssize_t len, PyObject *args); + +/* The maketrans() static method. */ +extern PyObject* _Py_bytes_maketrans(Py_buffer *frm, Py_buffer *to); + +/* Shared __doc__ strings. */ +extern const char _Py_isspace__doc__[]; +extern const char _Py_isalpha__doc__[]; +extern const char _Py_isalnum__doc__[]; +extern const char _Py_isascii__doc__[]; +extern const char _Py_isdigit__doc__[]; +extern const char _Py_islower__doc__[]; +extern const char _Py_isupper__doc__[]; +extern const char _Py_istitle__doc__[]; +extern const char _Py_lower__doc__[]; +extern const char _Py_upper__doc__[]; +extern const char _Py_title__doc__[]; +extern const char _Py_capitalize__doc__[]; +extern const char _Py_swapcase__doc__[]; +extern const char _Py_count__doc__[]; +extern const char _Py_find__doc__[]; +extern const char _Py_index__doc__[]; +extern const char _Py_rfind__doc__[]; +extern const char _Py_rindex__doc__[]; +extern const char _Py_startswith__doc__[]; +extern const char _Py_endswith__doc__[]; +extern const char _Py_maketrans__doc__[]; +extern const char _Py_expandtabs__doc__[]; +extern const char _Py_ljust__doc__[]; +extern const char _Py_rjust__doc__[]; +extern const char _Py_center__doc__[]; +extern const char _Py_zfill__doc__[]; + +/* this is needed because some docs are shared from the .o, not static */ +#define PyDoc_STRVAR_shared(name,str) const char name[] = PyDoc_STR(str) + +#endif /* !Py_BYTES_CTYPE_H */ +#endif /* !Py_LIMITED_API */ diff --git a/python-headers-win/Include/bytesobject.h b/python-headers-win/Include/bytesobject.h new file mode 100644 index 000000000..3fde4a221 --- /dev/null +++ b/python-headers-win/Include/bytesobject.h @@ -0,0 +1,224 @@ + +/* Bytes (String) object interface */ + +#ifndef Py_BYTESOBJECT_H +#define Py_BYTESOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#include + +/* +Type PyBytesObject represents a character string. An extra zero byte is +reserved at the end to ensure it is zero-terminated, but a size is +present so strings with null bytes in them can be represented. This +is an immutable object type. + +There are functions to create new string objects, to test +an object for string-ness, and to get the +string value. The latter function returns a null pointer +if the object is not of the proper type. +There is a variant that takes an explicit size as well as a +variant that assumes a zero-terminated string. Note that none of the +functions should be applied to nil objects. +*/ + +/* Caching the hash (ob_shash) saves recalculation of a string's hash value. + This significantly speeds up dict lookups. */ + +#ifndef Py_LIMITED_API +typedef struct { + PyObject_VAR_HEAD + Py_hash_t ob_shash; + char ob_sval[1]; + + /* Invariants: + * ob_sval contains space for 'ob_size+1' elements. + * ob_sval[ob_size] == 0. + * ob_shash is the hash of the string or -1 if not computed yet. + */ +} PyBytesObject; +#endif + +PyAPI_DATA(PyTypeObject) PyBytes_Type; +PyAPI_DATA(PyTypeObject) PyBytesIter_Type; + +#define PyBytes_Check(op) \ + PyType_FastSubclass(Py_TYPE(op), Py_TPFLAGS_BYTES_SUBCLASS) +#define PyBytes_CheckExact(op) (Py_TYPE(op) == &PyBytes_Type) + +PyAPI_FUNC(PyObject *) PyBytes_FromStringAndSize(const char *, Py_ssize_t); +PyAPI_FUNC(PyObject *) PyBytes_FromString(const char *); +PyAPI_FUNC(PyObject *) PyBytes_FromObject(PyObject *); +PyAPI_FUNC(PyObject *) PyBytes_FromFormatV(const char*, va_list) + Py_GCC_ATTRIBUTE((format(printf, 1, 0))); +PyAPI_FUNC(PyObject *) PyBytes_FromFormat(const char*, ...) + Py_GCC_ATTRIBUTE((format(printf, 1, 2))); +PyAPI_FUNC(Py_ssize_t) PyBytes_Size(PyObject *); +PyAPI_FUNC(char *) PyBytes_AsString(PyObject *); +PyAPI_FUNC(PyObject *) PyBytes_Repr(PyObject *, int); +PyAPI_FUNC(void) PyBytes_Concat(PyObject **, PyObject *); +PyAPI_FUNC(void) PyBytes_ConcatAndDel(PyObject **, PyObject *); +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) _PyBytes_Resize(PyObject **, Py_ssize_t); +PyAPI_FUNC(PyObject*) _PyBytes_FormatEx( + const char *format, + Py_ssize_t format_len, + PyObject *args, + int use_bytearray); +PyAPI_FUNC(PyObject*) _PyBytes_FromHex( + PyObject *string, + int use_bytearray); +#endif +PyAPI_FUNC(PyObject *) PyBytes_DecodeEscape(const char *, Py_ssize_t, + const char *, Py_ssize_t, + const char *); +#ifndef Py_LIMITED_API +/* Helper for PyBytes_DecodeEscape that detects invalid escape chars. */ +PyAPI_FUNC(PyObject *) _PyBytes_DecodeEscape(const char *, Py_ssize_t, + const char *, Py_ssize_t, + const char *, + const char **); +#endif + +/* Macro, trading safety for speed */ +#ifndef Py_LIMITED_API +#define PyBytes_AS_STRING(op) (assert(PyBytes_Check(op)), \ + (((PyBytesObject *)(op))->ob_sval)) +#define PyBytes_GET_SIZE(op) (assert(PyBytes_Check(op)),Py_SIZE(op)) +#endif + +/* _PyBytes_Join(sep, x) is like sep.join(x). sep must be PyBytesObject*, + x must be an iterable object. */ +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _PyBytes_Join(PyObject *sep, PyObject *x); +#endif + +/* Provides access to the internal data buffer and size of a string + object or the default encoded version of a Unicode object. Passing + NULL as *len parameter will force the string buffer to be + 0-terminated (passing a string with embedded NULL characters will + cause an exception). */ +PyAPI_FUNC(int) PyBytes_AsStringAndSize( + PyObject *obj, /* string or Unicode object */ + char **s, /* pointer to buffer variable */ + Py_ssize_t *len /* pointer to length variable or NULL + (only possible for 0-terminated + strings) */ + ); + +/* Using the current locale, insert the thousands grouping + into the string pointed to by buffer. For the argument descriptions, + see Objects/stringlib/localeutil.h */ +#ifndef Py_LIMITED_API +PyAPI_FUNC(Py_ssize_t) _PyBytes_InsertThousandsGroupingLocale(char *buffer, + Py_ssize_t n_buffer, + char *digits, + Py_ssize_t n_digits, + Py_ssize_t min_width); + +/* Using explicit passed-in values, insert the thousands grouping + into the string pointed to by buffer. For the argument descriptions, + see Objects/stringlib/localeutil.h */ +PyAPI_FUNC(Py_ssize_t) _PyBytes_InsertThousandsGrouping(char *buffer, + Py_ssize_t n_buffer, + char *digits, + Py_ssize_t n_digits, + Py_ssize_t min_width, + const char *grouping, + const char *thousands_sep); +#endif + +/* Flags used by string formatting */ +#define F_LJUST (1<<0) +#define F_SIGN (1<<1) +#define F_BLANK (1<<2) +#define F_ALT (1<<3) +#define F_ZERO (1<<4) + +#ifndef Py_LIMITED_API +/* The _PyBytesWriter structure is big: it contains an embedded "stack buffer". + A _PyBytesWriter variable must be declared at the end of variables in a + function to optimize the memory allocation on the stack. */ +typedef struct { + /* bytes, bytearray or NULL (when the small buffer is used) */ + PyObject *buffer; + + /* Number of allocated size. */ + Py_ssize_t allocated; + + /* Minimum number of allocated bytes, + incremented by _PyBytesWriter_Prepare() */ + Py_ssize_t min_size; + + /* If non-zero, use a bytearray instead of a bytes object for buffer. */ + int use_bytearray; + + /* If non-zero, overallocate the buffer (default: 0). + This flag must be zero if use_bytearray is non-zero. */ + int overallocate; + + /* Stack buffer */ + int use_small_buffer; + char small_buffer[512]; +} _PyBytesWriter; + +/* Initialize a bytes writer + + By default, the overallocation is disabled. Set the overallocate attribute + to control the allocation of the buffer. */ +PyAPI_FUNC(void) _PyBytesWriter_Init(_PyBytesWriter *writer); + +/* Get the buffer content and reset the writer. + Return a bytes object, or a bytearray object if use_bytearray is non-zero. + Raise an exception and return NULL on error. */ +PyAPI_FUNC(PyObject *) _PyBytesWriter_Finish(_PyBytesWriter *writer, + void *str); + +/* Deallocate memory of a writer (clear its internal buffer). */ +PyAPI_FUNC(void) _PyBytesWriter_Dealloc(_PyBytesWriter *writer); + +/* Allocate the buffer to write size bytes. + Return the pointer to the beginning of buffer data. + Raise an exception and return NULL on error. */ +PyAPI_FUNC(void*) _PyBytesWriter_Alloc(_PyBytesWriter *writer, + Py_ssize_t size); + +/* Ensure that the buffer is large enough to write *size* bytes. + Add size to the writer minimum size (min_size attribute). + + str is the current pointer inside the buffer. + Return the updated current pointer inside the buffer. + Raise an exception and return NULL on error. */ +PyAPI_FUNC(void*) _PyBytesWriter_Prepare(_PyBytesWriter *writer, + void *str, + Py_ssize_t size); + +/* Resize the buffer to make it larger. + The new buffer may be larger than size bytes because of overallocation. + Return the updated current pointer inside the buffer. + Raise an exception and return NULL on error. + + Note: size must be greater than the number of allocated bytes in the writer. + + This function doesn't use the writer minimum size (min_size attribute). + + See also _PyBytesWriter_Prepare(). + */ +PyAPI_FUNC(void*) _PyBytesWriter_Resize(_PyBytesWriter *writer, + void *str, + Py_ssize_t size); + +/* Write bytes. + Raise an exception and return NULL on error. */ +PyAPI_FUNC(void*) _PyBytesWriter_WriteBytes(_PyBytesWriter *writer, + void *str, + const void *bytes, + Py_ssize_t size); +#endif /* Py_LIMITED_API */ + +#ifdef __cplusplus +} +#endif +#endif /* !Py_BYTESOBJECT_H */ diff --git a/python-headers-win/Include/cellobject.h b/python-headers-win/Include/cellobject.h new file mode 100644 index 000000000..2f9b5b75d --- /dev/null +++ b/python-headers-win/Include/cellobject.h @@ -0,0 +1,29 @@ +/* Cell object interface */ +#ifndef Py_LIMITED_API +#ifndef Py_CELLOBJECT_H +#define Py_CELLOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +typedef struct { + PyObject_HEAD + PyObject *ob_ref; /* Content of the cell or NULL when empty */ +} PyCellObject; + +PyAPI_DATA(PyTypeObject) PyCell_Type; + +#define PyCell_Check(op) (Py_TYPE(op) == &PyCell_Type) + +PyAPI_FUNC(PyObject *) PyCell_New(PyObject *); +PyAPI_FUNC(PyObject *) PyCell_Get(PyObject *); +PyAPI_FUNC(int) PyCell_Set(PyObject *, PyObject *); + +#define PyCell_GET(op) (((PyCellObject *)(op))->ob_ref) +#define PyCell_SET(op, v) (((PyCellObject *)(op))->ob_ref = v) + +#ifdef __cplusplus +} +#endif +#endif /* !Py_TUPLEOBJECT_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/ceval.h b/python-headers-win/Include/ceval.h new file mode 100644 index 000000000..36fd014a9 --- /dev/null +++ b/python-headers-win/Include/ceval.h @@ -0,0 +1,231 @@ +#ifndef Py_CEVAL_H +#define Py_CEVAL_H +#ifdef __cplusplus +extern "C" { +#endif + + +/* Interface to random parts in ceval.c */ + +/* PyEval_CallObjectWithKeywords(), PyEval_CallObject(), PyEval_CallFunction + * and PyEval_CallMethod are kept for backward compatibility: PyObject_Call(), + * PyObject_CallFunction() and PyObject_CallMethod() are recommended to call + * a callable object. + */ + +PyAPI_FUNC(PyObject *) PyEval_CallObjectWithKeywords( + PyObject *callable, + PyObject *args, + PyObject *kwargs); + +/* Inline this */ +#define PyEval_CallObject(callable, arg) \ + PyEval_CallObjectWithKeywords(callable, arg, (PyObject *)NULL) + +PyAPI_FUNC(PyObject *) PyEval_CallFunction(PyObject *callable, + const char *format, ...); +PyAPI_FUNC(PyObject *) PyEval_CallMethod(PyObject *obj, + const char *name, + const char *format, ...); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(void) PyEval_SetProfile(Py_tracefunc, PyObject *); +PyAPI_FUNC(void) PyEval_SetTrace(Py_tracefunc, PyObject *); +PyAPI_FUNC(void) _PyEval_SetCoroutineOriginTrackingDepth(int new_depth); +PyAPI_FUNC(int) _PyEval_GetCoroutineOriginTrackingDepth(void); +PyAPI_FUNC(void) _PyEval_SetAsyncGenFirstiter(PyObject *); +PyAPI_FUNC(PyObject *) _PyEval_GetAsyncGenFirstiter(void); +PyAPI_FUNC(void) _PyEval_SetAsyncGenFinalizer(PyObject *); +PyAPI_FUNC(PyObject *) _PyEval_GetAsyncGenFinalizer(void); +#endif + +struct _frame; /* Avoid including frameobject.h */ + +PyAPI_FUNC(PyObject *) PyEval_GetBuiltins(void); +PyAPI_FUNC(PyObject *) PyEval_GetGlobals(void); +PyAPI_FUNC(PyObject *) PyEval_GetLocals(void); +PyAPI_FUNC(struct _frame *) PyEval_GetFrame(void); + +#ifndef Py_LIMITED_API +/* Helper to look up a builtin object */ +PyAPI_FUNC(PyObject *) _PyEval_GetBuiltinId(_Py_Identifier *); +/* Look at the current frame's (if any) code's co_flags, and turn on + the corresponding compiler flags in cf->cf_flags. Return 1 if any + flag was set, else return 0. */ +PyAPI_FUNC(int) PyEval_MergeCompilerFlags(PyCompilerFlags *cf); +#endif + +PyAPI_FUNC(int) Py_AddPendingCall(int (*func)(void *), void *arg); +PyAPI_FUNC(int) Py_MakePendingCalls(void); + +/* Protection against deeply nested recursive calls + + In Python 3.0, this protection has two levels: + * normal anti-recursion protection is triggered when the recursion level + exceeds the current recursion limit. It raises a RecursionError, and sets + the "overflowed" flag in the thread state structure. This flag + temporarily *disables* the normal protection; this allows cleanup code + to potentially outgrow the recursion limit while processing the + RecursionError. + * "last chance" anti-recursion protection is triggered when the recursion + level exceeds "current recursion limit + 50". By construction, this + protection can only be triggered when the "overflowed" flag is set. It + means the cleanup code has itself gone into an infinite loop, or the + RecursionError has been mistakingly ignored. When this protection is + triggered, the interpreter aborts with a Fatal Error. + + In addition, the "overflowed" flag is automatically reset when the + recursion level drops below "current recursion limit - 50". This heuristic + is meant to ensure that the normal anti-recursion protection doesn't get + disabled too long. + + Please note: this scheme has its own limitations. See: + http://mail.python.org/pipermail/python-dev/2008-August/082106.html + for some observations. +*/ +PyAPI_FUNC(void) Py_SetRecursionLimit(int); +PyAPI_FUNC(int) Py_GetRecursionLimit(void); + +#define Py_EnterRecursiveCall(where) \ + (_Py_MakeRecCheck(PyThreadState_GET()->recursion_depth) && \ + _Py_CheckRecursiveCall(where)) +#define Py_LeaveRecursiveCall() \ + do{ if(_Py_MakeEndRecCheck(PyThreadState_GET()->recursion_depth)) \ + PyThreadState_GET()->overflowed = 0; \ + } while(0) +PyAPI_FUNC(int) _Py_CheckRecursiveCall(const char *where); + +/* Due to the macros in which it's used, _Py_CheckRecursionLimit is in + the stable ABI. It should be removed therefrom when possible. +*/ +PyAPI_DATA(int) _Py_CheckRecursionLimit; + +#ifdef USE_STACKCHECK +/* With USE_STACKCHECK, trigger stack checks in _Py_CheckRecursiveCall() + on every 64th call to Py_EnterRecursiveCall. +*/ +# define _Py_MakeRecCheck(x) \ + (++(x) > _Py_CheckRecursionLimit || \ + ++(PyThreadState_GET()->stackcheck_counter) > 64) +#else +# define _Py_MakeRecCheck(x) (++(x) > _Py_CheckRecursionLimit) +#endif + +/* Compute the "lower-water mark" for a recursion limit. When + * Py_LeaveRecursiveCall() is called with a recursion depth below this mark, + * the overflowed flag is reset to 0. */ +#define _Py_RecursionLimitLowerWaterMark(limit) \ + (((limit) > 200) \ + ? ((limit) - 50) \ + : (3 * ((limit) >> 2))) + +#define _Py_MakeEndRecCheck(x) \ + (--(x) < _Py_RecursionLimitLowerWaterMark(_Py_CheckRecursionLimit)) + +#define Py_ALLOW_RECURSION \ + do { unsigned char _old = PyThreadState_GET()->recursion_critical;\ + PyThreadState_GET()->recursion_critical = 1; + +#define Py_END_ALLOW_RECURSION \ + PyThreadState_GET()->recursion_critical = _old; \ + } while(0); + +PyAPI_FUNC(const char *) PyEval_GetFuncName(PyObject *); +PyAPI_FUNC(const char *) PyEval_GetFuncDesc(PyObject *); + +PyAPI_FUNC(PyObject *) PyEval_EvalFrame(struct _frame *); +PyAPI_FUNC(PyObject *) PyEval_EvalFrameEx(struct _frame *f, int exc); +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _PyEval_EvalFrameDefault(struct _frame *f, int exc); +#endif + +/* Interface for threads. + + A module that plans to do a blocking system call (or something else + that lasts a long time and doesn't touch Python data) can allow other + threads to run as follows: + + ...preparations here... + Py_BEGIN_ALLOW_THREADS + ...blocking system call here... + Py_END_ALLOW_THREADS + ...interpret result here... + + The Py_BEGIN_ALLOW_THREADS/Py_END_ALLOW_THREADS pair expands to a + {}-surrounded block. + To leave the block in the middle (e.g., with return), you must insert + a line containing Py_BLOCK_THREADS before the return, e.g. + + if (...premature_exit...) { + Py_BLOCK_THREADS + PyErr_SetFromErrno(PyExc_OSError); + return NULL; + } + + An alternative is: + + Py_BLOCK_THREADS + if (...premature_exit...) { + PyErr_SetFromErrno(PyExc_OSError); + return NULL; + } + Py_UNBLOCK_THREADS + + For convenience, that the value of 'errno' is restored across + Py_END_ALLOW_THREADS and Py_BLOCK_THREADS. + + WARNING: NEVER NEST CALLS TO Py_BEGIN_ALLOW_THREADS AND + Py_END_ALLOW_THREADS!!! + + The function PyEval_InitThreads() should be called only from + init_thread() in "_threadmodule.c". + + Note that not yet all candidates have been converted to use this + mechanism! +*/ + +PyAPI_FUNC(PyThreadState *) PyEval_SaveThread(void); +PyAPI_FUNC(void) PyEval_RestoreThread(PyThreadState *); + +PyAPI_FUNC(int) PyEval_ThreadsInitialized(void); +PyAPI_FUNC(void) PyEval_InitThreads(void); +Py_DEPRECATED(3.2) PyAPI_FUNC(void) PyEval_AcquireLock(void); +/* Py_DEPRECATED(3.2) */ PyAPI_FUNC(void) PyEval_ReleaseLock(void); +PyAPI_FUNC(void) PyEval_AcquireThread(PyThreadState *tstate); +PyAPI_FUNC(void) PyEval_ReleaseThread(PyThreadState *tstate); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(void) _PyEval_SetSwitchInterval(unsigned long microseconds); +PyAPI_FUNC(unsigned long) _PyEval_GetSwitchInterval(void); +#endif + +#ifndef Py_LIMITED_API +PyAPI_FUNC(Py_ssize_t) _PyEval_RequestCodeExtraIndex(freefunc); +#endif + +#define Py_BEGIN_ALLOW_THREADS { \ + PyThreadState *_save; \ + _save = PyEval_SaveThread(); +#define Py_BLOCK_THREADS PyEval_RestoreThread(_save); +#define Py_UNBLOCK_THREADS _save = PyEval_SaveThread(); +#define Py_END_ALLOW_THREADS PyEval_RestoreThread(_save); \ + } + +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) _PyEval_SliceIndex(PyObject *, Py_ssize_t *); +PyAPI_FUNC(int) _PyEval_SliceIndexNotNone(PyObject *, Py_ssize_t *); +#endif + +/* Masks and values used by FORMAT_VALUE opcode. */ +#define FVC_MASK 0x3 +#define FVC_NONE 0x0 +#define FVC_STR 0x1 +#define FVC_REPR 0x2 +#define FVC_ASCII 0x3 +#define FVS_MASK 0x4 +#define FVS_HAVE_SPEC 0x4 + +#ifdef __cplusplus +} +#endif +#endif /* !Py_CEVAL_H */ diff --git a/python-headers-win/Include/classobject.h b/python-headers-win/Include/classobject.h new file mode 100644 index 000000000..c83303c39 --- /dev/null +++ b/python-headers-win/Include/classobject.h @@ -0,0 +1,59 @@ +/* Former class object interface -- now only bound methods are here */ + +/* Revealing some structures (not for general use) */ + +#ifndef Py_LIMITED_API +#ifndef Py_CLASSOBJECT_H +#define Py_CLASSOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +typedef struct { + PyObject_HEAD + PyObject *im_func; /* The callable object implementing the method */ + PyObject *im_self; /* The instance it is bound to */ + PyObject *im_weakreflist; /* List of weak references */ + vectorcallfunc vectorcall; +} PyMethodObject; + +PyAPI_DATA(PyTypeObject) PyMethod_Type; + +#define PyMethod_Check(op) ((op)->ob_type == &PyMethod_Type) + +PyAPI_FUNC(PyObject *) PyMethod_New(PyObject *, PyObject *); + +PyAPI_FUNC(PyObject *) PyMethod_Function(PyObject *); +PyAPI_FUNC(PyObject *) PyMethod_Self(PyObject *); + +/* Macros for direct access to these values. Type checks are *not* + done, so use with care. */ +#define PyMethod_GET_FUNCTION(meth) \ + (((PyMethodObject *)meth) -> im_func) +#define PyMethod_GET_SELF(meth) \ + (((PyMethodObject *)meth) -> im_self) + +PyAPI_FUNC(int) PyMethod_ClearFreeList(void); + +typedef struct { + PyObject_HEAD + PyObject *func; +} PyInstanceMethodObject; + +PyAPI_DATA(PyTypeObject) PyInstanceMethod_Type; + +#define PyInstanceMethod_Check(op) ((op)->ob_type == &PyInstanceMethod_Type) + +PyAPI_FUNC(PyObject *) PyInstanceMethod_New(PyObject *); +PyAPI_FUNC(PyObject *) PyInstanceMethod_Function(PyObject *); + +/* Macros for direct access to these values. Type checks are *not* + done, so use with care. */ +#define PyInstanceMethod_GET_FUNCTION(meth) \ + (((PyInstanceMethodObject *)meth) -> func) + +#ifdef __cplusplus +} +#endif +#endif /* !Py_CLASSOBJECT_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/code.h b/python-headers-win/Include/code.h new file mode 100644 index 000000000..3afddd20c --- /dev/null +++ b/python-headers-win/Include/code.h @@ -0,0 +1,180 @@ +/* Definitions for bytecode */ + +#ifndef Py_LIMITED_API +#ifndef Py_CODE_H +#define Py_CODE_H +#ifdef __cplusplus +extern "C" { +#endif + +typedef uint16_t _Py_CODEUNIT; + +#ifdef WORDS_BIGENDIAN +# define _Py_OPCODE(word) ((word) >> 8) +# define _Py_OPARG(word) ((word) & 255) +#else +# define _Py_OPCODE(word) ((word) & 255) +# define _Py_OPARG(word) ((word) >> 8) +#endif + +typedef struct _PyOpcache _PyOpcache; + +/* Bytecode object */ +typedef struct { + PyObject_HEAD + int co_argcount; /* #arguments, except *args */ + int co_posonlyargcount; /* #positional only arguments */ + int co_kwonlyargcount; /* #keyword only arguments */ + int co_nlocals; /* #local variables */ + int co_stacksize; /* #entries needed for evaluation stack */ + int co_flags; /* CO_..., see below */ + int co_firstlineno; /* first source line number */ + PyObject *co_code; /* instruction opcodes */ + PyObject *co_consts; /* list (constants used) */ + PyObject *co_names; /* list of strings (names used) */ + PyObject *co_varnames; /* tuple of strings (local variable names) */ + PyObject *co_freevars; /* tuple of strings (free variable names) */ + PyObject *co_cellvars; /* tuple of strings (cell variable names) */ + /* The rest aren't used in either hash or comparisons, except for co_name, + used in both. This is done to preserve the name and line number + for tracebacks and debuggers; otherwise, constant de-duplication + would collapse identical functions/lambdas defined on different lines. + */ + Py_ssize_t *co_cell2arg; /* Maps cell vars which are arguments. */ + PyObject *co_filename; /* unicode (where it was loaded from) */ + PyObject *co_name; /* unicode (name, for reference) */ + PyObject *co_lnotab; /* string (encoding addr<->lineno mapping) See + Objects/lnotab_notes.txt for details. */ + void *co_zombieframe; /* for optimization only (see frameobject.c) */ + PyObject *co_weakreflist; /* to support weakrefs to code objects */ + /* Scratch space for extra data relating to the code object. + Type is a void* to keep the format private in codeobject.c to force + people to go through the proper APIs. */ + void *co_extra; + + /* Per opcodes just-in-time cache + * + * To reduce cache size, we use indirect mapping from opcode index to + * cache object: + * cache = co_opcache[co_opcache_map[next_instr - first_instr] - 1] + */ + + // co_opcache_map is indexed by (next_instr - first_instr). + // * 0 means there is no cache for this opcode. + // * n > 0 means there is cache in co_opcache[n-1]. + unsigned char *co_opcache_map; + _PyOpcache *co_opcache; + int co_opcache_flag; // used to determine when create a cache. + unsigned char co_opcache_size; // length of co_opcache. +} PyCodeObject; + +/* Masks for co_flags above */ +#define CO_OPTIMIZED 0x0001 +#define CO_NEWLOCALS 0x0002 +#define CO_VARARGS 0x0004 +#define CO_VARKEYWORDS 0x0008 +#define CO_NESTED 0x0010 +#define CO_GENERATOR 0x0020 +/* The CO_NOFREE flag is set if there are no free or cell variables. + This information is redundant, but it allows a single flag test + to determine whether there is any extra work to be done when the + call frame it setup. +*/ +#define CO_NOFREE 0x0040 + +/* The CO_COROUTINE flag is set for coroutine functions (defined with + ``async def`` keywords) */ +#define CO_COROUTINE 0x0080 +#define CO_ITERABLE_COROUTINE 0x0100 +#define CO_ASYNC_GENERATOR 0x0200 + +/* These are no longer used. */ +#if 0 +#define CO_GENERATOR_ALLOWED 0x1000 +#endif +#define CO_FUTURE_DIVISION 0x2000 +#define CO_FUTURE_ABSOLUTE_IMPORT 0x4000 /* do absolute imports by default */ +#define CO_FUTURE_WITH_STATEMENT 0x8000 +#define CO_FUTURE_PRINT_FUNCTION 0x10000 +#define CO_FUTURE_UNICODE_LITERALS 0x20000 + +#define CO_FUTURE_BARRY_AS_BDFL 0x40000 +#define CO_FUTURE_GENERATOR_STOP 0x80000 +#define CO_FUTURE_ANNOTATIONS 0x100000 + +/* This value is found in the co_cell2arg array when the associated cell + variable does not correspond to an argument. */ +#define CO_CELL_NOT_AN_ARG (-1) + +/* This should be defined if a future statement modifies the syntax. + For example, when a keyword is added. +*/ +#define PY_PARSER_REQUIRES_FUTURE_KEYWORD + +#define CO_MAXBLOCKS 20 /* Max static block nesting within a function */ + +PyAPI_DATA(PyTypeObject) PyCode_Type; + +#define PyCode_Check(op) (Py_TYPE(op) == &PyCode_Type) +#define PyCode_GetNumFree(op) (PyTuple_GET_SIZE((op)->co_freevars)) + +/* Public interface */ +PyAPI_FUNC(PyCodeObject *) PyCode_New( + int, int, int, int, int, PyObject *, PyObject *, + PyObject *, PyObject *, PyObject *, PyObject *, + PyObject *, PyObject *, int, PyObject *); + +PyAPI_FUNC(PyCodeObject *) PyCode_NewWithPosOnlyArgs( + int, int, int, int, int, int, PyObject *, PyObject *, + PyObject *, PyObject *, PyObject *, PyObject *, + PyObject *, PyObject *, int, PyObject *); + /* same as struct above */ + +/* Creates a new empty code object with the specified source location. */ +PyAPI_FUNC(PyCodeObject *) +PyCode_NewEmpty(const char *filename, const char *funcname, int firstlineno); + +/* Return the line number associated with the specified bytecode index + in this code object. If you just need the line number of a frame, + use PyFrame_GetLineNumber() instead. */ +PyAPI_FUNC(int) PyCode_Addr2Line(PyCodeObject *, int); + +/* for internal use only */ +typedef struct _addr_pair { + int ap_lower; + int ap_upper; +} PyAddrPair; + +#ifndef Py_LIMITED_API +/* Update *bounds to describe the first and one-past-the-last instructions in the + same line as lasti. Return the number of that line. +*/ +PyAPI_FUNC(int) _PyCode_CheckLineNumber(PyCodeObject* co, + int lasti, PyAddrPair *bounds); + +/* Create a comparable key used to compare constants taking in account the + * object type. It is used to make sure types are not coerced (e.g., float and + * complex) _and_ to distinguish 0.0 from -0.0 e.g. on IEEE platforms + * + * Return (type(obj), obj, ...): a tuple with variable size (at least 2 items) + * depending on the type and the value. The type is the first item to not + * compare bytes and str which can raise a BytesWarning exception. */ +PyAPI_FUNC(PyObject*) _PyCode_ConstantKey(PyObject *obj); +#endif + +PyAPI_FUNC(PyObject*) PyCode_Optimize(PyObject *code, PyObject* consts, + PyObject *names, PyObject *lnotab); + + +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) _PyCode_GetExtra(PyObject *code, Py_ssize_t index, + void **extra); +PyAPI_FUNC(int) _PyCode_SetExtra(PyObject *code, Py_ssize_t index, + void *extra); +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_CODE_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/codecs.h b/python-headers-win/Include/codecs.h new file mode 100644 index 000000000..3ad0f2b5a --- /dev/null +++ b/python-headers-win/Include/codecs.h @@ -0,0 +1,240 @@ +#ifndef Py_CODECREGISTRY_H +#define Py_CODECREGISTRY_H +#ifdef __cplusplus +extern "C" { +#endif + +/* ------------------------------------------------------------------------ + + Python Codec Registry and support functions + + +Written by Marc-Andre Lemburg (mal@lemburg.com). + +Copyright (c) Corporation for National Research Initiatives. + + ------------------------------------------------------------------------ */ + +/* Register a new codec search function. + + As side effect, this tries to load the encodings package, if not + yet done, to make sure that it is always first in the list of + search functions. + + The search_function's refcount is incremented by this function. */ + +PyAPI_FUNC(int) PyCodec_Register( + PyObject *search_function + ); + +/* Codec registry lookup API. + + Looks up the given encoding and returns a CodecInfo object with + function attributes which implement the different aspects of + processing the encoding. + + The encoding string is looked up converted to all lower-case + characters. This makes encodings looked up through this mechanism + effectively case-insensitive. + + If no codec is found, a KeyError is set and NULL returned. + + As side effect, this tries to load the encodings package, if not + yet done. This is part of the lazy load strategy for the encodings + package. + + */ + +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _PyCodec_Lookup( + const char *encoding + ); + +PyAPI_FUNC(int) _PyCodec_Forget( + const char *encoding + ); +#endif + +/* Codec registry encoding check API. + + Returns 1/0 depending on whether there is a registered codec for + the given encoding. + +*/ + +PyAPI_FUNC(int) PyCodec_KnownEncoding( + const char *encoding + ); + +/* Generic codec based encoding API. + + object is passed through the encoder function found for the given + encoding using the error handling method defined by errors. errors + may be NULL to use the default method defined for the codec. + + Raises a LookupError in case no encoder can be found. + + */ + +PyAPI_FUNC(PyObject *) PyCodec_Encode( + PyObject *object, + const char *encoding, + const char *errors + ); + +/* Generic codec based decoding API. + + object is passed through the decoder function found for the given + encoding using the error handling method defined by errors. errors + may be NULL to use the default method defined for the codec. + + Raises a LookupError in case no encoder can be found. + + */ + +PyAPI_FUNC(PyObject *) PyCodec_Decode( + PyObject *object, + const char *encoding, + const char *errors + ); + +#ifndef Py_LIMITED_API +/* Text codec specific encoding and decoding API. + + Checks the encoding against a list of codecs which do not + implement a str<->bytes encoding before attempting the + operation. + + Please note that these APIs are internal and should not + be used in Python C extensions. + + XXX (ncoghlan): should we make these, or something like them, public + in Python 3.5+? + + */ +PyAPI_FUNC(PyObject *) _PyCodec_LookupTextEncoding( + const char *encoding, + const char *alternate_command + ); + +PyAPI_FUNC(PyObject *) _PyCodec_EncodeText( + PyObject *object, + const char *encoding, + const char *errors + ); + +PyAPI_FUNC(PyObject *) _PyCodec_DecodeText( + PyObject *object, + const char *encoding, + const char *errors + ); + +/* These two aren't actually text encoding specific, but _io.TextIOWrapper + * is the only current API consumer. + */ +PyAPI_FUNC(PyObject *) _PyCodecInfo_GetIncrementalDecoder( + PyObject *codec_info, + const char *errors + ); + +PyAPI_FUNC(PyObject *) _PyCodecInfo_GetIncrementalEncoder( + PyObject *codec_info, + const char *errors + ); +#endif + + + +/* --- Codec Lookup APIs -------------------------------------------------- + + All APIs return a codec object with incremented refcount and are + based on _PyCodec_Lookup(). The same comments w/r to the encoding + name also apply to these APIs. + +*/ + +/* Get an encoder function for the given encoding. */ + +PyAPI_FUNC(PyObject *) PyCodec_Encoder( + const char *encoding + ); + +/* Get a decoder function for the given encoding. */ + +PyAPI_FUNC(PyObject *) PyCodec_Decoder( + const char *encoding + ); + +/* Get an IncrementalEncoder object for the given encoding. */ + +PyAPI_FUNC(PyObject *) PyCodec_IncrementalEncoder( + const char *encoding, + const char *errors + ); + +/* Get an IncrementalDecoder object function for the given encoding. */ + +PyAPI_FUNC(PyObject *) PyCodec_IncrementalDecoder( + const char *encoding, + const char *errors + ); + +/* Get a StreamReader factory function for the given encoding. */ + +PyAPI_FUNC(PyObject *) PyCodec_StreamReader( + const char *encoding, + PyObject *stream, + const char *errors + ); + +/* Get a StreamWriter factory function for the given encoding. */ + +PyAPI_FUNC(PyObject *) PyCodec_StreamWriter( + const char *encoding, + PyObject *stream, + const char *errors + ); + +/* Unicode encoding error handling callback registry API */ + +/* Register the error handling callback function error under the given + name. This function will be called by the codec when it encounters + unencodable characters/undecodable bytes and doesn't know the + callback name, when name is specified as the error parameter + in the call to the encode/decode function. + Return 0 on success, -1 on error */ +PyAPI_FUNC(int) PyCodec_RegisterError(const char *name, PyObject *error); + +/* Lookup the error handling callback function registered under the given + name. As a special case NULL can be passed, in which case + the error handling callback for "strict" will be returned. */ +PyAPI_FUNC(PyObject *) PyCodec_LookupError(const char *name); + +/* raise exc as an exception */ +PyAPI_FUNC(PyObject *) PyCodec_StrictErrors(PyObject *exc); + +/* ignore the unicode error, skipping the faulty input */ +PyAPI_FUNC(PyObject *) PyCodec_IgnoreErrors(PyObject *exc); + +/* replace the unicode encode error with ? or U+FFFD */ +PyAPI_FUNC(PyObject *) PyCodec_ReplaceErrors(PyObject *exc); + +/* replace the unicode encode error with XML character references */ +PyAPI_FUNC(PyObject *) PyCodec_XMLCharRefReplaceErrors(PyObject *exc); + +/* replace the unicode encode error with backslash escapes (\x, \u and \U) */ +PyAPI_FUNC(PyObject *) PyCodec_BackslashReplaceErrors(PyObject *exc); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +/* replace the unicode encode error with backslash escapes (\N, \x, \u and \U) */ +PyAPI_FUNC(PyObject *) PyCodec_NameReplaceErrors(PyObject *exc); +#endif + +#ifndef Py_LIMITED_API +PyAPI_DATA(const char *) Py_hexdigits; +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_CODECREGISTRY_H */ diff --git a/python-headers-win/Include/compile.h b/python-headers-win/Include/compile.h new file mode 100644 index 000000000..1cda955c1 --- /dev/null +++ b/python-headers-win/Include/compile.h @@ -0,0 +1,100 @@ +#ifndef Py_COMPILE_H +#define Py_COMPILE_H + +#ifndef Py_LIMITED_API +#include "code.h" + +#ifdef __cplusplus +extern "C" { +#endif + +/* Public interface */ +struct _node; /* Declare the existence of this type */ +PyAPI_FUNC(PyCodeObject *) PyNode_Compile(struct _node *, const char *); +/* XXX (ncoghlan): Unprefixed type name in a public API! */ + +#define PyCF_MASK (CO_FUTURE_DIVISION | CO_FUTURE_ABSOLUTE_IMPORT | \ + CO_FUTURE_WITH_STATEMENT | CO_FUTURE_PRINT_FUNCTION | \ + CO_FUTURE_UNICODE_LITERALS | CO_FUTURE_BARRY_AS_BDFL | \ + CO_FUTURE_GENERATOR_STOP | CO_FUTURE_ANNOTATIONS) +#define PyCF_MASK_OBSOLETE (CO_NESTED) +#define PyCF_SOURCE_IS_UTF8 0x0100 +#define PyCF_DONT_IMPLY_DEDENT 0x0200 +#define PyCF_ONLY_AST 0x0400 +#define PyCF_IGNORE_COOKIE 0x0800 +#define PyCF_TYPE_COMMENTS 0x1000 +#define PyCF_ALLOW_TOP_LEVEL_AWAIT 0x2000 + +#ifndef Py_LIMITED_API +typedef struct { + int cf_flags; /* bitmask of CO_xxx flags relevant to future */ + int cf_feature_version; /* minor Python version (PyCF_ONLY_AST) */ +} PyCompilerFlags; + +#define _PyCompilerFlags_INIT \ + (PyCompilerFlags){.cf_flags = 0, .cf_feature_version = PY_MINOR_VERSION} +#endif + +/* Future feature support */ + +typedef struct { + int ff_features; /* flags set by future statements */ + int ff_lineno; /* line number of last future statement */ +} PyFutureFeatures; + +#define FUTURE_NESTED_SCOPES "nested_scopes" +#define FUTURE_GENERATORS "generators" +#define FUTURE_DIVISION "division" +#define FUTURE_ABSOLUTE_IMPORT "absolute_import" +#define FUTURE_WITH_STATEMENT "with_statement" +#define FUTURE_PRINT_FUNCTION "print_function" +#define FUTURE_UNICODE_LITERALS "unicode_literals" +#define FUTURE_BARRY_AS_BDFL "barry_as_FLUFL" +#define FUTURE_GENERATOR_STOP "generator_stop" +#define FUTURE_ANNOTATIONS "annotations" + +struct _mod; /* Declare the existence of this type */ +#define PyAST_Compile(mod, s, f, ar) PyAST_CompileEx(mod, s, f, -1, ar) +PyAPI_FUNC(PyCodeObject *) PyAST_CompileEx( + struct _mod *mod, + const char *filename, /* decoded from the filesystem encoding */ + PyCompilerFlags *flags, + int optimize, + PyArena *arena); +PyAPI_FUNC(PyCodeObject *) PyAST_CompileObject( + struct _mod *mod, + PyObject *filename, + PyCompilerFlags *flags, + int optimize, + PyArena *arena); +PyAPI_FUNC(PyFutureFeatures *) PyFuture_FromAST( + struct _mod * mod, + const char *filename /* decoded from the filesystem encoding */ + ); +PyAPI_FUNC(PyFutureFeatures *) PyFuture_FromASTObject( + struct _mod * mod, + PyObject *filename + ); + +/* _Py_Mangle is defined in compile.c */ +PyAPI_FUNC(PyObject*) _Py_Mangle(PyObject *p, PyObject *name); + +#define PY_INVALID_STACK_EFFECT INT_MAX +PyAPI_FUNC(int) PyCompile_OpcodeStackEffect(int opcode, int oparg); +PyAPI_FUNC(int) PyCompile_OpcodeStackEffectWithJump(int opcode, int oparg, int jump); + +PyAPI_FUNC(int) _PyAST_Optimize(struct _mod *, PyArena *arena, int optimize); + +#ifdef __cplusplus +} +#endif + +#endif /* !Py_LIMITED_API */ + +/* These definitions must match corresponding definitions in graminit.h. */ +#define Py_single_input 256 +#define Py_file_input 257 +#define Py_eval_input 258 +#define Py_func_type_input 345 + +#endif /* !Py_COMPILE_H */ diff --git a/python-headers-win/Include/complexobject.h b/python-headers-win/Include/complexobject.h new file mode 100644 index 000000000..cb8c52c58 --- /dev/null +++ b/python-headers-win/Include/complexobject.h @@ -0,0 +1,69 @@ +/* Complex number structure */ + +#ifndef Py_COMPLEXOBJECT_H +#define Py_COMPLEXOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +typedef struct { + double real; + double imag; +} Py_complex; + +/* Operations on complex numbers from complexmodule.c */ + +PyAPI_FUNC(Py_complex) _Py_c_sum(Py_complex, Py_complex); +PyAPI_FUNC(Py_complex) _Py_c_diff(Py_complex, Py_complex); +PyAPI_FUNC(Py_complex) _Py_c_neg(Py_complex); +PyAPI_FUNC(Py_complex) _Py_c_prod(Py_complex, Py_complex); +PyAPI_FUNC(Py_complex) _Py_c_quot(Py_complex, Py_complex); +PyAPI_FUNC(Py_complex) _Py_c_pow(Py_complex, Py_complex); +PyAPI_FUNC(double) _Py_c_abs(Py_complex); +#endif + +/* Complex object interface */ + +/* +PyComplexObject represents a complex number with double-precision +real and imaginary parts. +*/ +#ifndef Py_LIMITED_API +typedef struct { + PyObject_HEAD + Py_complex cval; +} PyComplexObject; +#endif + +PyAPI_DATA(PyTypeObject) PyComplex_Type; + +#define PyComplex_Check(op) PyObject_TypeCheck(op, &PyComplex_Type) +#define PyComplex_CheckExact(op) (Py_TYPE(op) == &PyComplex_Type) + +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) PyComplex_FromCComplex(Py_complex); +#endif +PyAPI_FUNC(PyObject *) PyComplex_FromDoubles(double real, double imag); + +PyAPI_FUNC(double) PyComplex_RealAsDouble(PyObject *op); +PyAPI_FUNC(double) PyComplex_ImagAsDouble(PyObject *op); +#ifndef Py_LIMITED_API +PyAPI_FUNC(Py_complex) PyComplex_AsCComplex(PyObject *op); +#endif + +/* Format the object based on the format_spec, as defined in PEP 3101 + (Advanced String Formatting). */ +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) _PyComplex_FormatAdvancedWriter( + _PyUnicodeWriter *writer, + PyObject *obj, + PyObject *format_spec, + Py_ssize_t start, + Py_ssize_t end); +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_COMPLEXOBJECT_H */ diff --git a/python-headers-win/Include/context.h b/python-headers-win/Include/context.h new file mode 100644 index 000000000..958128524 --- /dev/null +++ b/python-headers-win/Include/context.h @@ -0,0 +1,84 @@ +#ifndef Py_CONTEXT_H +#define Py_CONTEXT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API + + +PyAPI_DATA(PyTypeObject) PyContext_Type; +typedef struct _pycontextobject PyContext; + +PyAPI_DATA(PyTypeObject) PyContextVar_Type; +typedef struct _pycontextvarobject PyContextVar; + +PyAPI_DATA(PyTypeObject) PyContextToken_Type; +typedef struct _pycontexttokenobject PyContextToken; + + +#define PyContext_CheckExact(o) (Py_TYPE(o) == &PyContext_Type) +#define PyContextVar_CheckExact(o) (Py_TYPE(o) == &PyContextVar_Type) +#define PyContextToken_CheckExact(o) (Py_TYPE(o) == &PyContextToken_Type) + + +PyAPI_FUNC(PyObject *) PyContext_New(void); +PyAPI_FUNC(PyObject *) PyContext_Copy(PyObject *); +PyAPI_FUNC(PyObject *) PyContext_CopyCurrent(void); + +PyAPI_FUNC(int) PyContext_Enter(PyObject *); +PyAPI_FUNC(int) PyContext_Exit(PyObject *); + + +/* Create a new context variable. + + default_value can be NULL. +*/ +PyAPI_FUNC(PyObject *) PyContextVar_New( + const char *name, PyObject *default_value); + + +/* Get a value for the variable. + + Returns -1 if an error occurred during lookup. + + Returns 0 if value either was or was not found. + + If value was found, *value will point to it. + If not, it will point to: + + - default_value, if not NULL; + - the default value of "var", if not NULL; + - NULL. + + '*value' will be a new ref, if not NULL. +*/ +PyAPI_FUNC(int) PyContextVar_Get( + PyObject *var, PyObject *default_value, PyObject **value); + + +/* Set a new value for the variable. + Returns NULL if an error occurs. +*/ +PyAPI_FUNC(PyObject *) PyContextVar_Set(PyObject *var, PyObject *value); + + +/* Reset a variable to its previous value. + Returns 0 on success, -1 on error. +*/ +PyAPI_FUNC(int) PyContextVar_Reset(PyObject *var, PyObject *token); + + +/* This method is exposed only for CPython tests. Don not use it. */ +PyAPI_FUNC(PyObject *) _PyContext_NewHamtForTests(void); + + +PyAPI_FUNC(int) PyContext_ClearFreeList(void); + + +#endif /* !Py_LIMITED_API */ + +#ifdef __cplusplus +} +#endif +#endif /* !Py_CONTEXT_H */ diff --git a/python-headers-win/Include/cpython/abstract.h b/python-headers-win/Include/cpython/abstract.h new file mode 100644 index 000000000..2ea3209bc --- /dev/null +++ b/python-headers-win/Include/cpython/abstract.h @@ -0,0 +1,319 @@ +#ifndef Py_CPYTHON_ABSTRACTOBJECT_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +/* === Object Protocol ================================================== */ + +#ifdef PY_SSIZE_T_CLEAN +# define _PyObject_CallMethodId _PyObject_CallMethodId_SizeT +#endif + +/* Convert keyword arguments from the FASTCALL (stack: C array, kwnames: tuple) + format to a Python dictionary ("kwargs" dict). + + The type of kwnames keys is not checked. The final function getting + arguments is responsible to check if all keys are strings, for example using + PyArg_ParseTupleAndKeywords() or PyArg_ValidateKeywordArguments(). + + Duplicate keys are merged using the last value. If duplicate keys must raise + an exception, the caller is responsible to implement an explicit keys on + kwnames. */ +PyAPI_FUNC(PyObject *) _PyStack_AsDict( + PyObject *const *values, + PyObject *kwnames); + +/* Convert (args, nargs, kwargs: dict) into a (stack, nargs, kwnames: tuple). + + Return 0 on success, raise an exception and return -1 on error. + + Write the new stack into *p_stack. If *p_stack is differen than args, it + must be released by PyMem_Free(). + + The stack uses borrowed references. + + The type of keyword keys is not checked, these checks should be done + later (ex: _PyArg_ParseStackAndKeywords). */ +PyAPI_FUNC(int) _PyStack_UnpackDict( + PyObject *const *args, + Py_ssize_t nargs, + PyObject *kwargs, + PyObject *const **p_stack, + PyObject **p_kwnames); + +/* Suggested size (number of positional arguments) for arrays of PyObject* + allocated on a C stack to avoid allocating memory on the heap memory. Such + array is used to pass positional arguments to call functions of the + _PyObject_Vectorcall() family. + + The size is chosen to not abuse the C stack and so limit the risk of stack + overflow. The size is also chosen to allow using the small stack for most + function calls of the Python standard library. On 64-bit CPU, it allocates + 40 bytes on the stack. */ +#define _PY_FASTCALL_SMALL_STACK 5 + +PyAPI_FUNC(PyObject *) _Py_CheckFunctionResult(PyObject *callable, + PyObject *result, + const char *where); + +/* === Vectorcall protocol (PEP 590) ============================= */ + +/* Call callable using tp_call. Arguments are like _PyObject_Vectorcall() + or _PyObject_FastCallDict() (both forms are supported), + except that nargs is plainly the number of arguments without flags. */ +PyAPI_FUNC(PyObject *) _PyObject_MakeTpCall( + PyObject *callable, + PyObject *const *args, Py_ssize_t nargs, + PyObject *keywords); + +#define PY_VECTORCALL_ARGUMENTS_OFFSET ((size_t)1 << (8 * sizeof(size_t) - 1)) + +static inline Py_ssize_t +PyVectorcall_NARGS(size_t n) +{ + return n & ~PY_VECTORCALL_ARGUMENTS_OFFSET; +} + +static inline vectorcallfunc +_PyVectorcall_Function(PyObject *callable) +{ + PyTypeObject *tp = Py_TYPE(callable); + Py_ssize_t offset = tp->tp_vectorcall_offset; + vectorcallfunc *ptr; + if (!PyType_HasFeature(tp, _Py_TPFLAGS_HAVE_VECTORCALL)) { + return NULL; + } + assert(PyCallable_Check(callable)); + assert(offset > 0); + ptr = (vectorcallfunc*)(((char *)callable) + offset); + return *ptr; +} + +/* Call the callable object 'callable' with the "vectorcall" calling + convention. + + args is a C array for positional arguments. + + nargsf is the number of positional arguments plus optionally the flag + PY_VECTORCALL_ARGUMENTS_OFFSET which means that the caller is allowed to + modify args[-1]. + + kwnames is a tuple of keyword names. The values of the keyword arguments + are stored in "args" after the positional arguments (note that the number + of keyword arguments does not change nargsf). kwnames can also be NULL if + there are no keyword arguments. + + keywords must only contains str strings (no subclass), and all keys must + be unique. + + Return the result on success. Raise an exception and return NULL on + error. */ +static inline PyObject * +_PyObject_Vectorcall(PyObject *callable, PyObject *const *args, + size_t nargsf, PyObject *kwnames) +{ + PyObject *res; + vectorcallfunc func; + assert(kwnames == NULL || PyTuple_Check(kwnames)); + assert(args != NULL || PyVectorcall_NARGS(nargsf) == 0); + func = _PyVectorcall_Function(callable); + if (func == NULL) { + Py_ssize_t nargs = PyVectorcall_NARGS(nargsf); + return _PyObject_MakeTpCall(callable, args, nargs, kwnames); + } + res = func(callable, args, nargsf, kwnames); + return _Py_CheckFunctionResult(callable, res, NULL); +} + +/* Same as _PyObject_Vectorcall except that keyword arguments are passed as + dict, which may be NULL if there are no keyword arguments. */ +PyAPI_FUNC(PyObject *) _PyObject_FastCallDict( + PyObject *callable, + PyObject *const *args, + size_t nargsf, + PyObject *kwargs); + +/* Call "callable" (which must support vectorcall) with positional arguments + "tuple" and keyword arguments "dict". "dict" may also be NULL */ +PyAPI_FUNC(PyObject *) PyVectorcall_Call(PyObject *callable, PyObject *tuple, PyObject *dict); + +/* Same as _PyObject_Vectorcall except without keyword arguments */ +static inline PyObject * +_PyObject_FastCall(PyObject *func, PyObject *const *args, Py_ssize_t nargs) +{ + return _PyObject_Vectorcall(func, args, (size_t)nargs, NULL); +} + +/* Call a callable without any arguments */ +static inline PyObject * +_PyObject_CallNoArg(PyObject *func) { + return _PyObject_Vectorcall(func, NULL, 0, NULL); +} + +PyAPI_FUNC(PyObject *) _PyObject_Call_Prepend( + PyObject *callable, + PyObject *obj, + PyObject *args, + PyObject *kwargs); + +PyAPI_FUNC(PyObject *) _PyObject_FastCall_Prepend( + PyObject *callable, + PyObject *obj, + PyObject *const *args, + Py_ssize_t nargs); + +/* Like PyObject_CallMethod(), but expect a _Py_Identifier* + as the method name. */ +PyAPI_FUNC(PyObject *) _PyObject_CallMethodId(PyObject *obj, + _Py_Identifier *name, + const char *format, ...); + +PyAPI_FUNC(PyObject *) _PyObject_CallMethodId_SizeT(PyObject *obj, + _Py_Identifier *name, + const char *format, + ...); + +PyAPI_FUNC(PyObject *) _PyObject_CallMethodIdObjArgs( + PyObject *obj, + struct _Py_Identifier *name, + ...); + +PyAPI_FUNC(int) _PyObject_HasLen(PyObject *o); + +/* Guess the size of object 'o' using len(o) or o.__length_hint__(). + If neither of those return a non-negative value, then return the default + value. If one of the calls fails, this function returns -1. */ +PyAPI_FUNC(Py_ssize_t) PyObject_LengthHint(PyObject *o, Py_ssize_t); + +/* === New Buffer API ============================================ */ + +/* Return 1 if the getbuffer function is available, otherwise return 0. */ +#define PyObject_CheckBuffer(obj) \ + (((obj)->ob_type->tp_as_buffer != NULL) && \ + ((obj)->ob_type->tp_as_buffer->bf_getbuffer != NULL)) + +/* This is a C-API version of the getbuffer function call. It checks + to make sure object has the required function pointer and issues the + call. + + Returns -1 and raises an error on failure and returns 0 on success. */ +PyAPI_FUNC(int) PyObject_GetBuffer(PyObject *obj, Py_buffer *view, + int flags); + +/* Get the memory area pointed to by the indices for the buffer given. + Note that view->ndim is the assumed size of indices. */ +PyAPI_FUNC(void *) PyBuffer_GetPointer(Py_buffer *view, Py_ssize_t *indices); + +/* Return the implied itemsize of the data-format area from a + struct-style description. */ +PyAPI_FUNC(int) PyBuffer_SizeFromFormat(const char *); + +/* Implementation in memoryobject.c */ +PyAPI_FUNC(int) PyBuffer_ToContiguous(void *buf, Py_buffer *view, + Py_ssize_t len, char order); + +PyAPI_FUNC(int) PyBuffer_FromContiguous(Py_buffer *view, void *buf, + Py_ssize_t len, char order); + +/* Copy len bytes of data from the contiguous chunk of memory + pointed to by buf into the buffer exported by obj. Return + 0 on success and return -1 and raise a PyBuffer_Error on + error (i.e. the object does not have a buffer interface or + it is not working). + + If fort is 'F', then if the object is multi-dimensional, + then the data will be copied into the array in + Fortran-style (first dimension varies the fastest). If + fort is 'C', then the data will be copied into the array + in C-style (last dimension varies the fastest). If fort + is 'A', then it does not matter and the copy will be made + in whatever way is more efficient. */ +PyAPI_FUNC(int) PyObject_CopyData(PyObject *dest, PyObject *src); + +/* Copy the data from the src buffer to the buffer of destination. */ +PyAPI_FUNC(int) PyBuffer_IsContiguous(const Py_buffer *view, char fort); + +/*Fill the strides array with byte-strides of a contiguous + (Fortran-style if fort is 'F' or C-style otherwise) + array of the given shape with the given number of bytes + per element. */ +PyAPI_FUNC(void) PyBuffer_FillContiguousStrides(int ndims, + Py_ssize_t *shape, + Py_ssize_t *strides, + int itemsize, + char fort); + +/* Fills in a buffer-info structure correctly for an exporter + that can only share a contiguous chunk of memory of + "unsigned bytes" of the given length. + + Returns 0 on success and -1 (with raising an error) on error. */ +PyAPI_FUNC(int) PyBuffer_FillInfo(Py_buffer *view, PyObject *o, void *buf, + Py_ssize_t len, int readonly, + int flags); + +/* Releases a Py_buffer obtained from getbuffer ParseTuple's "s*". */ +PyAPI_FUNC(void) PyBuffer_Release(Py_buffer *view); + +/* ==== Iterators ================================================ */ + +#define PyIter_Check(obj) \ + ((obj)->ob_type->tp_iternext != NULL && \ + (obj)->ob_type->tp_iternext != &_PyObject_NextNotImplemented) + +/* === Number Protocol ================================================== */ + +#define PyIndex_Check(obj) \ + ((obj)->ob_type->tp_as_number != NULL && \ + (obj)->ob_type->tp_as_number->nb_index != NULL) + +/* === Sequence protocol ================================================ */ + +/* Assume tp_as_sequence and sq_item exist and that 'i' does not + need to be corrected for a negative index. */ +#define PySequence_ITEM(o, i)\ + ( Py_TYPE(o)->tp_as_sequence->sq_item(o, i) ) + +#define PY_ITERSEARCH_COUNT 1 +#define PY_ITERSEARCH_INDEX 2 +#define PY_ITERSEARCH_CONTAINS 3 + +/* Iterate over seq. + + Result depends on the operation: + + PY_ITERSEARCH_COUNT: return # of times obj appears in seq; -1 if + error. + PY_ITERSEARCH_INDEX: return 0-based index of first occurrence of + obj in seq; set ValueError and return -1 if none found; + also return -1 on error. + PY_ITERSEARCH_CONTAINS: return 1 if obj in seq, else 0; -1 on + error. */ +PyAPI_FUNC(Py_ssize_t) _PySequence_IterSearch(PyObject *seq, + PyObject *obj, int operation); + +/* === Mapping protocol ================================================= */ + +PyAPI_FUNC(int) _PyObject_RealIsInstance(PyObject *inst, PyObject *cls); + +PyAPI_FUNC(int) _PyObject_RealIsSubclass(PyObject *derived, PyObject *cls); + +PyAPI_FUNC(char *const *) _PySequence_BytesToCharpArray(PyObject* self); + +PyAPI_FUNC(void) _Py_FreeCharPArray(char *const array[]); + +/* For internal use by buffer API functions */ +PyAPI_FUNC(void) _Py_add_one_to_index_F(int nd, Py_ssize_t *index, + const Py_ssize_t *shape); +PyAPI_FUNC(void) _Py_add_one_to_index_C(int nd, Py_ssize_t *index, + const Py_ssize_t *shape); + +/* Convert Python int to Py_ssize_t. Do nothing if the argument is None. */ +PyAPI_FUNC(int) _Py_convert_optional_to_ssize_t(PyObject *, void *); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/dictobject.h b/python-headers-win/Include/cpython/dictobject.h new file mode 100644 index 000000000..64c012a01 --- /dev/null +++ b/python-headers-win/Include/cpython/dictobject.h @@ -0,0 +1,94 @@ +#ifndef Py_CPYTHON_DICTOBJECT_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +typedef struct _dictkeysobject PyDictKeysObject; + +/* The ma_values pointer is NULL for a combined table + * or points to an array of PyObject* for a split table + */ +typedef struct { + PyObject_HEAD + + /* Number of items in the dictionary */ + Py_ssize_t ma_used; + + /* Dictionary version: globally unique, value change each time + the dictionary is modified */ + uint64_t ma_version_tag; + + PyDictKeysObject *ma_keys; + + /* If ma_values is NULL, the table is "combined": keys and values + are stored in ma_keys. + + If ma_values is not NULL, the table is splitted: + keys are stored in ma_keys and values are stored in ma_values */ + PyObject **ma_values; +} PyDictObject; + +PyAPI_FUNC(PyObject *) _PyDict_GetItem_KnownHash(PyObject *mp, PyObject *key, + Py_hash_t hash); +PyAPI_FUNC(PyObject *) _PyDict_GetItemIdWithError(PyObject *dp, + struct _Py_Identifier *key); +PyAPI_FUNC(PyObject *) _PyDict_GetItemStringWithError(PyObject *, const char *); +PyAPI_FUNC(PyObject *) PyDict_SetDefault( + PyObject *mp, PyObject *key, PyObject *defaultobj); +PyAPI_FUNC(int) _PyDict_SetItem_KnownHash(PyObject *mp, PyObject *key, + PyObject *item, Py_hash_t hash); +PyAPI_FUNC(int) _PyDict_DelItem_KnownHash(PyObject *mp, PyObject *key, + Py_hash_t hash); +PyAPI_FUNC(int) _PyDict_DelItemIf(PyObject *mp, PyObject *key, + int (*predicate)(PyObject *value)); +PyDictKeysObject *_PyDict_NewKeysForClass(void); +PyAPI_FUNC(PyObject *) PyObject_GenericGetDict(PyObject *, void *); +PyAPI_FUNC(int) _PyDict_Next( + PyObject *mp, Py_ssize_t *pos, PyObject **key, PyObject **value, Py_hash_t *hash); + +/* Get the number of items of a dictionary. */ +#define PyDict_GET_SIZE(mp) (assert(PyDict_Check(mp)),((PyDictObject *)mp)->ma_used) +PyAPI_FUNC(int) _PyDict_Contains(PyObject *mp, PyObject *key, Py_hash_t hash); +PyAPI_FUNC(PyObject *) _PyDict_NewPresized(Py_ssize_t minused); +PyAPI_FUNC(void) _PyDict_MaybeUntrack(PyObject *mp); +PyAPI_FUNC(int) _PyDict_HasOnlyStringKeys(PyObject *mp); +Py_ssize_t _PyDict_KeysSize(PyDictKeysObject *keys); +PyAPI_FUNC(Py_ssize_t) _PyDict_SizeOf(PyDictObject *); +PyAPI_FUNC(PyObject *) _PyDict_Pop(PyObject *, PyObject *, PyObject *); +PyObject *_PyDict_Pop_KnownHash(PyObject *, PyObject *, Py_hash_t, PyObject *); +PyObject *_PyDict_FromKeys(PyObject *, PyObject *, PyObject *); +#define _PyDict_HasSplitTable(d) ((d)->ma_values != NULL) + +PyAPI_FUNC(int) PyDict_ClearFreeList(void); + +/* Like PyDict_Merge, but override can be 0, 1 or 2. If override is 0, + the first occurrence of a key wins, if override is 1, the last occurrence + of a key wins, if override is 2, a KeyError with conflicting key as + argument is raised. +*/ +PyAPI_FUNC(int) _PyDict_MergeEx(PyObject *mp, PyObject *other, int override); +PyAPI_FUNC(PyObject *) _PyDict_GetItemId(PyObject *dp, struct _Py_Identifier *key); +PyAPI_FUNC(int) _PyDict_SetItemId(PyObject *dp, struct _Py_Identifier *key, PyObject *item); + +PyAPI_FUNC(int) _PyDict_DelItemId(PyObject *mp, struct _Py_Identifier *key); +PyAPI_FUNC(void) _PyDict_DebugMallocStats(FILE *out); + +int _PyObjectDict_SetItem(PyTypeObject *tp, PyObject **dictptr, PyObject *name, PyObject *value); +PyObject *_PyDict_LoadGlobal(PyDictObject *, PyDictObject *, PyObject *); + +/* _PyDictView */ + +typedef struct { + PyObject_HEAD + PyDictObject *dv_dict; +} _PyDictViewObject; + +PyAPI_FUNC(PyObject *) _PyDictView_New(PyObject *, PyTypeObject *); +PyAPI_FUNC(PyObject *) _PyDictView_Intersect(PyObject* self, PyObject *other); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/fileobject.h b/python-headers-win/Include/cpython/fileobject.h new file mode 100644 index 000000000..57eac13c0 --- /dev/null +++ b/python-headers-win/Include/cpython/fileobject.h @@ -0,0 +1,32 @@ +#ifndef Py_CPYTHON_FILEOBJECT_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_FUNC(char *) Py_UniversalNewlineFgets(char *, int, FILE*, PyObject *); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03060000 +PyAPI_DATA(const char *) Py_FileSystemDefaultEncodeErrors; +#endif + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03070000 +PyAPI_DATA(int) Py_UTF8Mode; +#endif + +/* The std printer acts as a preliminary sys.stderr until the new io + infrastructure is in place. */ +PyAPI_FUNC(PyObject *) PyFile_NewStdPrinter(int); +PyAPI_DATA(PyTypeObject) PyStdPrinter_Type; + +typedef PyObject * (*Py_OpenCodeHookFunction)(PyObject *, void *); + +PyAPI_FUNC(PyObject *) PyFile_OpenCode(const char *utf8path); +PyAPI_FUNC(PyObject *) PyFile_OpenCodeObject(PyObject *path); +PyAPI_FUNC(int) PyFile_SetOpenCodeHook(Py_OpenCodeHookFunction hook, void *userData); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/initconfig.h b/python-headers-win/Include/cpython/initconfig.h new file mode 100644 index 000000000..4b5ceafe0 --- /dev/null +++ b/python-headers-win/Include/cpython/initconfig.h @@ -0,0 +1,434 @@ +#ifndef Py_PYCORECONFIG_H +#define Py_PYCORECONFIG_H +#ifndef Py_LIMITED_API +#ifdef __cplusplus +extern "C" { +#endif + +/* --- PyStatus ----------------------------------------------- */ + +typedef struct { + enum { + _PyStatus_TYPE_OK=0, + _PyStatus_TYPE_ERROR=1, + _PyStatus_TYPE_EXIT=2 + } _type; + const char *func; + const char *err_msg; + int exitcode; +} PyStatus; + +PyAPI_FUNC(PyStatus) PyStatus_Ok(void); +PyAPI_FUNC(PyStatus) PyStatus_Error(const char *err_msg); +PyAPI_FUNC(PyStatus) PyStatus_NoMemory(void); +PyAPI_FUNC(PyStatus) PyStatus_Exit(int exitcode); +PyAPI_FUNC(int) PyStatus_IsError(PyStatus err); +PyAPI_FUNC(int) PyStatus_IsExit(PyStatus err); +PyAPI_FUNC(int) PyStatus_Exception(PyStatus err); + +/* --- PyWideStringList ------------------------------------------------ */ + +typedef struct { + /* If length is greater than zero, items must be non-NULL + and all items strings must be non-NULL */ + Py_ssize_t length; + wchar_t **items; +} PyWideStringList; + +PyAPI_FUNC(PyStatus) PyWideStringList_Append(PyWideStringList *list, + const wchar_t *item); +PyAPI_FUNC(PyStatus) PyWideStringList_Insert(PyWideStringList *list, + Py_ssize_t index, + const wchar_t *item); + + +/* --- PyPreConfig ----------------------------------------------- */ + +typedef struct { + int _config_init; /* _PyConfigInitEnum value */ + + /* Parse Py_PreInitializeFromBytesArgs() arguments? + See PyConfig.parse_argv */ + int parse_argv; + + /* If greater than 0, enable isolated mode: sys.path contains + neither the script's directory nor the user's site-packages directory. + + Set to 1 by the -I command line option. If set to -1 (default), inherit + Py_IsolatedFlag value. */ + int isolated; + + /* If greater than 0: use environment variables. + Set to 0 by -E command line option. If set to -1 (default), it is + set to !Py_IgnoreEnvironmentFlag. */ + int use_environment; + + /* Set the LC_CTYPE locale to the user preferred locale? If equals to 0, + set coerce_c_locale and coerce_c_locale_warn to 0. */ + int configure_locale; + + /* Coerce the LC_CTYPE locale if it's equal to "C"? (PEP 538) + + Set to 0 by PYTHONCOERCECLOCALE=0. Set to 1 by PYTHONCOERCECLOCALE=1. + Set to 2 if the user preferred LC_CTYPE locale is "C". + + If it is equal to 1, LC_CTYPE locale is read to decide if it should be + coerced or not (ex: PYTHONCOERCECLOCALE=1). Internally, it is set to 2 + if the LC_CTYPE locale must be coerced. + + Disable by default (set to 0). Set it to -1 to let Python decide if it + should be enabled or not. */ + int coerce_c_locale; + + /* Emit a warning if the LC_CTYPE locale is coerced? + + Set to 1 by PYTHONCOERCECLOCALE=warn. + + Disable by default (set to 0). Set it to -1 to let Python decide if it + should be enabled or not. */ + int coerce_c_locale_warn; + +#ifdef MS_WINDOWS + /* If greater than 1, use the "mbcs" encoding instead of the UTF-8 + encoding for the filesystem encoding. + + Set to 1 if the PYTHONLEGACYWINDOWSFSENCODING environment variable is + set to a non-empty string. If set to -1 (default), inherit + Py_LegacyWindowsFSEncodingFlag value. + + See PEP 529 for more details. */ + int legacy_windows_fs_encoding; +#endif + + /* Enable UTF-8 mode? (PEP 540) + + Disabled by default (equals to 0). + + Set to 1 by "-X utf8" and "-X utf8=1" command line options. + Set to 1 by PYTHONUTF8=1 environment variable. + + Set to 0 by "-X utf8=0" and PYTHONUTF8=0. + + If equals to -1, it is set to 1 if the LC_CTYPE locale is "C" or + "POSIX", otherwise it is set to 0. Inherit Py_UTF8Mode value value. */ + int utf8_mode; + + int dev_mode; /* Development mode. PYTHONDEVMODE, -X dev */ + + /* Memory allocator: PYTHONMALLOC env var. + See PyMemAllocatorName for valid values. */ + int allocator; +} PyPreConfig; + +PyAPI_FUNC(void) PyPreConfig_InitPythonConfig(PyPreConfig *config); +PyAPI_FUNC(void) PyPreConfig_InitIsolatedConfig(PyPreConfig *config); + + +/* --- PyConfig ---------------------------------------------- */ + +typedef struct { + int _config_init; /* _PyConfigInitEnum value */ + + int isolated; /* Isolated mode? see PyPreConfig.isolated */ + int use_environment; /* Use environment variables? see PyPreConfig.use_environment */ + int dev_mode; /* Development mode? See PyPreConfig.dev_mode */ + + /* Install signal handlers? Yes by default. */ + int install_signal_handlers; + + int use_hash_seed; /* PYTHONHASHSEED=x */ + unsigned long hash_seed; + + /* Enable faulthandler? + Set to 1 by -X faulthandler and PYTHONFAULTHANDLER. -1 means unset. */ + int faulthandler; + + /* Enable tracemalloc? + Set by -X tracemalloc=N and PYTHONTRACEMALLOC. -1 means unset */ + int tracemalloc; + + int import_time; /* PYTHONPROFILEIMPORTTIME, -X importtime */ + int show_ref_count; /* -X showrefcount */ + int show_alloc_count; /* -X showalloccount */ + int dump_refs; /* PYTHONDUMPREFS */ + int malloc_stats; /* PYTHONMALLOCSTATS */ + + /* Python filesystem encoding and error handler: + sys.getfilesystemencoding() and sys.getfilesystemencodeerrors(). + + Default encoding and error handler: + + * if Py_SetStandardStreamEncoding() has been called: they have the + highest priority; + * PYTHONIOENCODING environment variable; + * The UTF-8 Mode uses UTF-8/surrogateescape; + * If Python forces the usage of the ASCII encoding (ex: C locale + or POSIX locale on FreeBSD or HP-UX), use ASCII/surrogateescape; + * locale encoding: ANSI code page on Windows, UTF-8 on Android and + VxWorks, LC_CTYPE locale encoding on other platforms; + * On Windows, "surrogateescape" error handler; + * "surrogateescape" error handler if the LC_CTYPE locale is "C" or "POSIX"; + * "surrogateescape" error handler if the LC_CTYPE locale has been coerced + (PEP 538); + * "strict" error handler. + + Supported error handlers: "strict", "surrogateescape" and + "surrogatepass". The surrogatepass error handler is only supported + if Py_DecodeLocale() and Py_EncodeLocale() use directly the UTF-8 codec; + it's only used on Windows. + + initfsencoding() updates the encoding to the Python codec name. + For example, "ANSI_X3.4-1968" is replaced with "ascii". + + On Windows, sys._enablelegacywindowsfsencoding() sets the + encoding/errors to mbcs/replace at runtime. + + + See Py_FileSystemDefaultEncoding and Py_FileSystemDefaultEncodeErrors. + */ + wchar_t *filesystem_encoding; + wchar_t *filesystem_errors; + + wchar_t *pycache_prefix; /* PYTHONPYCACHEPREFIX, -X pycache_prefix=PATH */ + int parse_argv; /* Parse argv command line arguments? */ + + /* Command line arguments (sys.argv). + + Set parse_argv to 1 to parse argv as Python command line arguments + and then strip Python arguments from argv. + + If argv is empty, an empty string is added to ensure that sys.argv + always exists and is never empty. */ + PyWideStringList argv; + + /* Program name: + + - If Py_SetProgramName() was called, use its value. + - On macOS, use PYTHONEXECUTABLE environment variable if set. + - If WITH_NEXT_FRAMEWORK macro is defined, use __PYVENV_LAUNCHER__ + environment variable is set. + - Use argv[0] if available and non-empty. + - Use "python" on Windows, or "python3 on other platforms. */ + wchar_t *program_name; + + PyWideStringList xoptions; /* Command line -X options */ + + /* Warnings options: lowest to highest priority. warnings.filters + is built in the reverse order (highest to lowest priority). */ + PyWideStringList warnoptions; + + /* If equal to zero, disable the import of the module site and the + site-dependent manipulations of sys.path that it entails. Also disable + these manipulations if site is explicitly imported later (call + site.main() if you want them to be triggered). + + Set to 0 by the -S command line option. If set to -1 (default), it is + set to !Py_NoSiteFlag. */ + int site_import; + + /* Bytes warnings: + + * If equal to 1, issue a warning when comparing bytes or bytearray with + str or bytes with int. + * If equal or greater to 2, issue an error. + + Incremented by the -b command line option. If set to -1 (default), inherit + Py_BytesWarningFlag value. */ + int bytes_warning; + + /* If greater than 0, enable inspect: when a script is passed as first + argument or the -c option is used, enter interactive mode after + executing the script or the command, even when sys.stdin does not appear + to be a terminal. + + Incremented by the -i command line option. Set to 1 if the PYTHONINSPECT + environment variable is non-empty. If set to -1 (default), inherit + Py_InspectFlag value. */ + int inspect; + + /* If greater than 0: enable the interactive mode (REPL). + + Incremented by the -i command line option. If set to -1 (default), + inherit Py_InteractiveFlag value. */ + int interactive; + + /* Optimization level. + + Incremented by the -O command line option. Set by the PYTHONOPTIMIZE + environment variable. If set to -1 (default), inherit Py_OptimizeFlag + value. */ + int optimization_level; + + /* If greater than 0, enable the debug mode: turn on parser debugging + output (for expert only, depending on compilation options). + + Incremented by the -d command line option. Set by the PYTHONDEBUG + environment variable. If set to -1 (default), inherit Py_DebugFlag + value. */ + int parser_debug; + + /* If equal to 0, Python won't try to write ``.pyc`` files on the + import of source modules. + + Set to 0 by the -B command line option and the PYTHONDONTWRITEBYTECODE + environment variable. If set to -1 (default), it is set to + !Py_DontWriteBytecodeFlag. */ + int write_bytecode; + + /* If greater than 0, enable the verbose mode: print a message each time a + module is initialized, showing the place (filename or built-in module) + from which it is loaded. + + If greater or equal to 2, print a message for each file that is checked + for when searching for a module. Also provides information on module + cleanup at exit. + + Incremented by the -v option. Set by the PYTHONVERBOSE environment + variable. If set to -1 (default), inherit Py_VerboseFlag value. */ + int verbose; + + /* If greater than 0, enable the quiet mode: Don't display the copyright + and version messages even in interactive mode. + + Incremented by the -q option. If set to -1 (default), inherit + Py_QuietFlag value. */ + int quiet; + + /* If greater than 0, don't add the user site-packages directory to + sys.path. + + Set to 0 by the -s and -I command line options , and the PYTHONNOUSERSITE + environment variable. If set to -1 (default), it is set to + !Py_NoUserSiteDirectory. */ + int user_site_directory; + + /* If non-zero, configure C standard steams (stdio, stdout, + stderr): + + - Set O_BINARY mode on Windows. + - If buffered_stdio is equal to zero, make streams unbuffered. + Otherwise, enable streams buffering if interactive is non-zero. */ + int configure_c_stdio; + + /* If equal to 0, enable unbuffered mode: force the stdout and stderr + streams to be unbuffered. + + Set to 0 by the -u option. Set by the PYTHONUNBUFFERED environment + variable. + If set to -1 (default), it is set to !Py_UnbufferedStdioFlag. */ + int buffered_stdio; + + /* Encoding of sys.stdin, sys.stdout and sys.stderr. + Value set from PYTHONIOENCODING environment variable and + Py_SetStandardStreamEncoding() function. + See also 'stdio_errors' attribute. */ + wchar_t *stdio_encoding; + + /* Error handler of sys.stdin and sys.stdout. + Value set from PYTHONIOENCODING environment variable and + Py_SetStandardStreamEncoding() function. + See also 'stdio_encoding' attribute. */ + wchar_t *stdio_errors; + +#ifdef MS_WINDOWS + /* If greater than zero, use io.FileIO instead of WindowsConsoleIO for sys + standard streams. + + Set to 1 if the PYTHONLEGACYWINDOWSSTDIO environment variable is set to + a non-empty string. If set to -1 (default), inherit + Py_LegacyWindowsStdioFlag value. + + See PEP 528 for more details. */ + int legacy_windows_stdio; +#endif + + /* Value of the --check-hash-based-pycs command line option: + + - "default" means the 'check_source' flag in hash-based pycs + determines invalidation + - "always" causes the interpreter to hash the source file for + invalidation regardless of value of 'check_source' bit + - "never" causes the interpreter to always assume hash-based pycs are + valid + + The default value is "default". + + See PEP 552 "Deterministic pycs" for more details. */ + wchar_t *check_hash_pycs_mode; + + /* --- Path configuration inputs ------------ */ + + /* If greater than 0, suppress _PyPathConfig_Calculate() warnings on Unix. + The parameter has no effect on Windows. + + If set to -1 (default), inherit !Py_FrozenFlag value. */ + int pathconfig_warnings; + + wchar_t *pythonpath_env; /* PYTHONPATH environment variable */ + wchar_t *home; /* PYTHONHOME environment variable, + see also Py_SetPythonHome(). */ + + /* --- Path configuration outputs ----------- */ + + int module_search_paths_set; /* If non-zero, use module_search_paths */ + PyWideStringList module_search_paths; /* sys.path paths. Computed if + module_search_paths_set is equal + to zero. */ + + wchar_t *executable; /* sys.executable */ + wchar_t *base_executable; /* sys._base_executable */ + wchar_t *prefix; /* sys.prefix */ + wchar_t *base_prefix; /* sys.base_prefix */ + wchar_t *exec_prefix; /* sys.exec_prefix */ + wchar_t *base_exec_prefix; /* sys.base_exec_prefix */ + + /* --- Parameter only used by Py_Main() ---------- */ + + /* Skip the first line of the source ('run_filename' parameter), allowing use of non-Unix forms of + "#!cmd". This is intended for a DOS specific hack only. + + Set by the -x command line option. */ + int skip_source_first_line; + + wchar_t *run_command; /* -c command line argument */ + wchar_t *run_module; /* -m command line argument */ + wchar_t *run_filename; /* Trailing command line argument without -c or -m */ + + /* --- Private fields ---------------------------- */ + + /* Install importlib? If set to 0, importlib is not initialized at all. + Needed by freeze_importlib. */ + int _install_importlib; + + /* If equal to 0, stop Python initialization before the "main" phase */ + int _init_main; +} PyConfig; + +PyAPI_FUNC(void) PyConfig_InitPythonConfig(PyConfig *config); +PyAPI_FUNC(void) PyConfig_InitIsolatedConfig(PyConfig *config); +PyAPI_FUNC(void) PyConfig_Clear(PyConfig *); +PyAPI_FUNC(PyStatus) PyConfig_SetString( + PyConfig *config, + wchar_t **config_str, + const wchar_t *str); +PyAPI_FUNC(PyStatus) PyConfig_SetBytesString( + PyConfig *config, + wchar_t **config_str, + const char *str); +PyAPI_FUNC(PyStatus) PyConfig_Read(PyConfig *config); +PyAPI_FUNC(PyStatus) PyConfig_SetBytesArgv( + PyConfig *config, + Py_ssize_t argc, + char * const *argv); +PyAPI_FUNC(PyStatus) PyConfig_SetArgv(PyConfig *config, + Py_ssize_t argc, + wchar_t * const *argv); +PyAPI_FUNC(PyStatus) PyConfig_SetWideStringList(PyConfig *config, + PyWideStringList *list, + Py_ssize_t length, wchar_t **items); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_LIMITED_API */ +#endif /* !Py_PYCORECONFIG_H */ diff --git a/python-headers-win/Include/cpython/interpreteridobject.h b/python-headers-win/Include/cpython/interpreteridobject.h new file mode 100644 index 000000000..67ec58735 --- /dev/null +++ b/python-headers-win/Include/cpython/interpreteridobject.h @@ -0,0 +1,19 @@ +#ifndef Py_CPYTHON_INTERPRETERIDOBJECT_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +/* Interpreter ID Object */ + +PyAPI_DATA(PyTypeObject) _PyInterpreterID_Type; + +PyAPI_FUNC(PyObject *) _PyInterpreterID_New(int64_t); +PyAPI_FUNC(PyObject *) _PyInterpreterState_GetIDObject(PyInterpreterState *); +PyAPI_FUNC(PyInterpreterState *) _PyInterpreterID_LookUp(PyObject *); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/object.h b/python-headers-win/Include/cpython/object.h new file mode 100644 index 000000000..5a0ac4afd --- /dev/null +++ b/python-headers-win/Include/cpython/object.h @@ -0,0 +1,470 @@ +#ifndef Py_CPYTHON_OBJECT_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +/********************* String Literals ****************************************/ +/* This structure helps managing static strings. The basic usage goes like this: + Instead of doing + + r = PyObject_CallMethod(o, "foo", "args", ...); + + do + + _Py_IDENTIFIER(foo); + ... + r = _PyObject_CallMethodId(o, &PyId_foo, "args", ...); + + PyId_foo is a static variable, either on block level or file level. On first + usage, the string "foo" is interned, and the structures are linked. On interpreter + shutdown, all strings are released (through _PyUnicode_ClearStaticStrings). + + Alternatively, _Py_static_string allows choosing the variable name. + _PyUnicode_FromId returns a borrowed reference to the interned string. + _PyObject_{Get,Set,Has}AttrId are __getattr__ versions using _Py_Identifier*. +*/ +typedef struct _Py_Identifier { + struct _Py_Identifier *next; + const char* string; + PyObject *object; +} _Py_Identifier; + +#define _Py_static_string_init(value) { .next = NULL, .string = value, .object = NULL } +#define _Py_static_string(varname, value) static _Py_Identifier varname = _Py_static_string_init(value) +#define _Py_IDENTIFIER(varname) _Py_static_string(PyId_##varname, #varname) + +/* buffer interface */ +typedef struct bufferinfo { + void *buf; + PyObject *obj; /* owned reference */ + Py_ssize_t len; + Py_ssize_t itemsize; /* This is Py_ssize_t so it can be + pointed to by strides in simple case.*/ + int readonly; + int ndim; + char *format; + Py_ssize_t *shape; + Py_ssize_t *strides; + Py_ssize_t *suboffsets; + void *internal; +} Py_buffer; + +typedef int (*getbufferproc)(PyObject *, Py_buffer *, int); +typedef void (*releasebufferproc)(PyObject *, Py_buffer *); + +typedef PyObject *(*vectorcallfunc)(PyObject *callable, PyObject *const *args, + size_t nargsf, PyObject *kwnames); + +/* Maximum number of dimensions */ +#define PyBUF_MAX_NDIM 64 + +/* Flags for getting buffers */ +#define PyBUF_SIMPLE 0 +#define PyBUF_WRITABLE 0x0001 +/* we used to include an E, backwards compatible alias */ +#define PyBUF_WRITEABLE PyBUF_WRITABLE +#define PyBUF_FORMAT 0x0004 +#define PyBUF_ND 0x0008 +#define PyBUF_STRIDES (0x0010 | PyBUF_ND) +#define PyBUF_C_CONTIGUOUS (0x0020 | PyBUF_STRIDES) +#define PyBUF_F_CONTIGUOUS (0x0040 | PyBUF_STRIDES) +#define PyBUF_ANY_CONTIGUOUS (0x0080 | PyBUF_STRIDES) +#define PyBUF_INDIRECT (0x0100 | PyBUF_STRIDES) + +#define PyBUF_CONTIG (PyBUF_ND | PyBUF_WRITABLE) +#define PyBUF_CONTIG_RO (PyBUF_ND) + +#define PyBUF_STRIDED (PyBUF_STRIDES | PyBUF_WRITABLE) +#define PyBUF_STRIDED_RO (PyBUF_STRIDES) + +#define PyBUF_RECORDS (PyBUF_STRIDES | PyBUF_WRITABLE | PyBUF_FORMAT) +#define PyBUF_RECORDS_RO (PyBUF_STRIDES | PyBUF_FORMAT) + +#define PyBUF_FULL (PyBUF_INDIRECT | PyBUF_WRITABLE | PyBUF_FORMAT) +#define PyBUF_FULL_RO (PyBUF_INDIRECT | PyBUF_FORMAT) + + +#define PyBUF_READ 0x100 +#define PyBUF_WRITE 0x200 +/* End buffer interface */ + + +typedef struct { + /* Number implementations must check *both* + arguments for proper type and implement the necessary conversions + in the slot functions themselves. */ + + binaryfunc nb_add; + binaryfunc nb_subtract; + binaryfunc nb_multiply; + binaryfunc nb_remainder; + binaryfunc nb_divmod; + ternaryfunc nb_power; + unaryfunc nb_negative; + unaryfunc nb_positive; + unaryfunc nb_absolute; + inquiry nb_bool; + unaryfunc nb_invert; + binaryfunc nb_lshift; + binaryfunc nb_rshift; + binaryfunc nb_and; + binaryfunc nb_xor; + binaryfunc nb_or; + unaryfunc nb_int; + void *nb_reserved; /* the slot formerly known as nb_long */ + unaryfunc nb_float; + + binaryfunc nb_inplace_add; + binaryfunc nb_inplace_subtract; + binaryfunc nb_inplace_multiply; + binaryfunc nb_inplace_remainder; + ternaryfunc nb_inplace_power; + binaryfunc nb_inplace_lshift; + binaryfunc nb_inplace_rshift; + binaryfunc nb_inplace_and; + binaryfunc nb_inplace_xor; + binaryfunc nb_inplace_or; + + binaryfunc nb_floor_divide; + binaryfunc nb_true_divide; + binaryfunc nb_inplace_floor_divide; + binaryfunc nb_inplace_true_divide; + + unaryfunc nb_index; + + binaryfunc nb_matrix_multiply; + binaryfunc nb_inplace_matrix_multiply; +} PyNumberMethods; + +typedef struct { + lenfunc sq_length; + binaryfunc sq_concat; + ssizeargfunc sq_repeat; + ssizeargfunc sq_item; + void *was_sq_slice; + ssizeobjargproc sq_ass_item; + void *was_sq_ass_slice; + objobjproc sq_contains; + + binaryfunc sq_inplace_concat; + ssizeargfunc sq_inplace_repeat; +} PySequenceMethods; + +typedef struct { + lenfunc mp_length; + binaryfunc mp_subscript; + objobjargproc mp_ass_subscript; +} PyMappingMethods; + +typedef struct { + unaryfunc am_await; + unaryfunc am_aiter; + unaryfunc am_anext; +} PyAsyncMethods; + +typedef struct { + getbufferproc bf_getbuffer; + releasebufferproc bf_releasebuffer; +} PyBufferProcs; + +/* Allow printfunc in the tp_vectorcall_offset slot for + * backwards-compatibility */ +typedef Py_ssize_t printfunc; + +typedef struct _typeobject { + PyObject_VAR_HEAD + const char *tp_name; /* For printing, in format "." */ + Py_ssize_t tp_basicsize, tp_itemsize; /* For allocation */ + + /* Methods to implement standard operations */ + + destructor tp_dealloc; + Py_ssize_t tp_vectorcall_offset; + getattrfunc tp_getattr; + setattrfunc tp_setattr; + PyAsyncMethods *tp_as_async; /* formerly known as tp_compare (Python 2) + or tp_reserved (Python 3) */ + reprfunc tp_repr; + + /* Method suites for standard classes */ + + PyNumberMethods *tp_as_number; + PySequenceMethods *tp_as_sequence; + PyMappingMethods *tp_as_mapping; + + /* More standard operations (here for binary compatibility) */ + + hashfunc tp_hash; + ternaryfunc tp_call; + reprfunc tp_str; + getattrofunc tp_getattro; + setattrofunc tp_setattro; + + /* Functions to access object as input/output buffer */ + PyBufferProcs *tp_as_buffer; + + /* Flags to define presence of optional/expanded features */ + unsigned long tp_flags; + + const char *tp_doc; /* Documentation string */ + + /* Assigned meaning in release 2.0 */ + /* call function for all accessible objects */ + traverseproc tp_traverse; + + /* delete references to contained objects */ + inquiry tp_clear; + + /* Assigned meaning in release 2.1 */ + /* rich comparisons */ + richcmpfunc tp_richcompare; + + /* weak reference enabler */ + Py_ssize_t tp_weaklistoffset; + + /* Iterators */ + getiterfunc tp_iter; + iternextfunc tp_iternext; + + /* Attribute descriptor and subclassing stuff */ + struct PyMethodDef *tp_methods; + struct PyMemberDef *tp_members; + struct PyGetSetDef *tp_getset; + struct _typeobject *tp_base; + PyObject *tp_dict; + descrgetfunc tp_descr_get; + descrsetfunc tp_descr_set; + Py_ssize_t tp_dictoffset; + initproc tp_init; + allocfunc tp_alloc; + newfunc tp_new; + freefunc tp_free; /* Low-level free-memory routine */ + inquiry tp_is_gc; /* For PyObject_IS_GC */ + PyObject *tp_bases; + PyObject *tp_mro; /* method resolution order */ + PyObject *tp_cache; + PyObject *tp_subclasses; + PyObject *tp_weaklist; + destructor tp_del; + + /* Type attribute cache version tag. Added in version 2.6 */ + unsigned int tp_version_tag; + + destructor tp_finalize; + vectorcallfunc tp_vectorcall; + + /* bpo-37250: kept for backwards compatibility in CPython 3.8 only */ + Py_DEPRECATED(3.8) int (*tp_print)(PyObject *, FILE *, int); + +#ifdef COUNT_ALLOCS + /* these must be last and never explicitly initialized */ + Py_ssize_t tp_allocs; + Py_ssize_t tp_frees; + Py_ssize_t tp_maxalloc; + struct _typeobject *tp_prev; + struct _typeobject *tp_next; +#endif +} PyTypeObject; + +/* The *real* layout of a type object when allocated on the heap */ +typedef struct _heaptypeobject { + /* Note: there's a dependency on the order of these members + in slotptr() in typeobject.c . */ + PyTypeObject ht_type; + PyAsyncMethods as_async; + PyNumberMethods as_number; + PyMappingMethods as_mapping; + PySequenceMethods as_sequence; /* as_sequence comes after as_mapping, + so that the mapping wins when both + the mapping and the sequence define + a given operator (e.g. __getitem__). + see add_operators() in typeobject.c . */ + PyBufferProcs as_buffer; + PyObject *ht_name, *ht_slots, *ht_qualname; + struct _dictkeysobject *ht_cached_keys; + /* here are optional user slots, followed by the members. */ +} PyHeapTypeObject; + +/* access macro to the members which are floating "behind" the object */ +#define PyHeapType_GET_MEMBERS(etype) \ + ((PyMemberDef *)(((char *)etype) + Py_TYPE(etype)->tp_basicsize)) + +PyAPI_FUNC(const char *) _PyType_Name(PyTypeObject *); +PyAPI_FUNC(PyObject *) _PyType_Lookup(PyTypeObject *, PyObject *); +PyAPI_FUNC(PyObject *) _PyType_LookupId(PyTypeObject *, _Py_Identifier *); +PyAPI_FUNC(PyObject *) _PyObject_LookupSpecial(PyObject *, _Py_Identifier *); +PyAPI_FUNC(PyTypeObject *) _PyType_CalculateMetaclass(PyTypeObject *, PyObject *); +PyAPI_FUNC(PyObject *) _PyType_GetDocFromInternalDoc(const char *, const char *); +PyAPI_FUNC(PyObject *) _PyType_GetTextSignatureFromInternalDoc(const char *, const char *); + +struct _Py_Identifier; +PyAPI_FUNC(int) PyObject_Print(PyObject *, FILE *, int); +PyAPI_FUNC(void) _Py_BreakPoint(void); +PyAPI_FUNC(void) _PyObject_Dump(PyObject *); +PyAPI_FUNC(int) _PyObject_IsFreed(PyObject *); + +PyAPI_FUNC(int) _PyObject_IsAbstract(PyObject *); +PyAPI_FUNC(PyObject *) _PyObject_GetAttrId(PyObject *, struct _Py_Identifier *); +PyAPI_FUNC(int) _PyObject_SetAttrId(PyObject *, struct _Py_Identifier *, PyObject *); +PyAPI_FUNC(int) _PyObject_HasAttrId(PyObject *, struct _Py_Identifier *); +/* Replacements of PyObject_GetAttr() and _PyObject_GetAttrId() which + don't raise AttributeError. + + Return 1 and set *result != NULL if an attribute is found. + Return 0 and set *result == NULL if an attribute is not found; + an AttributeError is silenced. + Return -1 and set *result == NULL if an error other than AttributeError + is raised. +*/ +PyAPI_FUNC(int) _PyObject_LookupAttr(PyObject *, PyObject *, PyObject **); +PyAPI_FUNC(int) _PyObject_LookupAttrId(PyObject *, struct _Py_Identifier *, PyObject **); +PyAPI_FUNC(PyObject **) _PyObject_GetDictPtr(PyObject *); +PyAPI_FUNC(PyObject *) _PyObject_NextNotImplemented(PyObject *); +PyAPI_FUNC(void) PyObject_CallFinalizer(PyObject *); +PyAPI_FUNC(int) PyObject_CallFinalizerFromDealloc(PyObject *); + +/* Same as PyObject_Generic{Get,Set}Attr, but passing the attributes + dict as the last parameter. */ +PyAPI_FUNC(PyObject *) +_PyObject_GenericGetAttrWithDict(PyObject *, PyObject *, PyObject *, int); +PyAPI_FUNC(int) +_PyObject_GenericSetAttrWithDict(PyObject *, PyObject *, + PyObject *, PyObject *); + +#define PyType_HasFeature(t,f) (((t)->tp_flags & (f)) != 0) + +static inline void _Py_Dealloc_inline(PyObject *op) +{ + destructor dealloc = Py_TYPE(op)->tp_dealloc; +#ifdef Py_TRACE_REFS + _Py_ForgetReference(op); +#else + _Py_INC_TPFREES(op); +#endif + (*dealloc)(op); +} +#define _Py_Dealloc(op) _Py_Dealloc_inline(op) + + +/* Safely decref `op` and set `op` to `op2`. + * + * As in case of Py_CLEAR "the obvious" code can be deadly: + * + * Py_DECREF(op); + * op = op2; + * + * The safe way is: + * + * Py_SETREF(op, op2); + * + * That arranges to set `op` to `op2` _before_ decref'ing, so that any code + * triggered as a side-effect of `op` getting torn down no longer believes + * `op` points to a valid object. + * + * Py_XSETREF is a variant of Py_SETREF that uses Py_XDECREF instead of + * Py_DECREF. + */ + +#define Py_SETREF(op, op2) \ + do { \ + PyObject *_py_tmp = _PyObject_CAST(op); \ + (op) = (op2); \ + Py_DECREF(_py_tmp); \ + } while (0) + +#define Py_XSETREF(op, op2) \ + do { \ + PyObject *_py_tmp = _PyObject_CAST(op); \ + (op) = (op2); \ + Py_XDECREF(_py_tmp); \ + } while (0) + + +PyAPI_DATA(PyTypeObject) _PyNone_Type; +PyAPI_DATA(PyTypeObject) _PyNotImplemented_Type; + +/* Maps Py_LT to Py_GT, ..., Py_GE to Py_LE. + * Defined in object.c. + */ +PyAPI_DATA(int) _Py_SwappedOp[]; + +/* This is the old private API, invoked by the macros before 3.2.4. + Kept for binary compatibility of extensions using the stable ABI. */ +PyAPI_FUNC(void) _PyTrash_deposit_object(PyObject*); +PyAPI_FUNC(void) _PyTrash_destroy_chain(void); + +PyAPI_FUNC(void) +_PyDebugAllocatorStats(FILE *out, const char *block_name, int num_blocks, + size_t sizeof_block); +PyAPI_FUNC(void) +_PyObject_DebugTypeStats(FILE *out); + +/* Define a pair of assertion macros: + _PyObject_ASSERT_FROM(), _PyObject_ASSERT_WITH_MSG() and _PyObject_ASSERT(). + + These work like the regular C assert(), in that they will abort the + process with a message on stderr if the given condition fails to hold, + but compile away to nothing if NDEBUG is defined. + + However, before aborting, Python will also try to call _PyObject_Dump() on + the given object. This may be of use when investigating bugs in which a + particular object is corrupt (e.g. buggy a tp_visit method in an extension + module breaking the garbage collector), to help locate the broken objects. + + The WITH_MSG variant allows you to supply an additional message that Python + will attempt to print to stderr, after the object dump. */ +#ifdef NDEBUG + /* No debugging: compile away the assertions: */ +# define _PyObject_ASSERT_FROM(obj, expr, msg, filename, lineno, func) \ + ((void)0) +#else + /* With debugging: generate checks: */ +# define _PyObject_ASSERT_FROM(obj, expr, msg, filename, lineno, func) \ + ((expr) \ + ? (void)(0) \ + : _PyObject_AssertFailed((obj), Py_STRINGIFY(expr), \ + (msg), (filename), (lineno), (func))) +#endif + +#define _PyObject_ASSERT_WITH_MSG(obj, expr, msg) \ + _PyObject_ASSERT_FROM(obj, expr, msg, __FILE__, __LINE__, __func__) +#define _PyObject_ASSERT(obj, expr) \ + _PyObject_ASSERT_WITH_MSG(obj, expr, NULL) + +#define _PyObject_ASSERT_FAILED_MSG(obj, msg) \ + _PyObject_AssertFailed((obj), NULL, (msg), __FILE__, __LINE__, __func__) + +/* Declare and define _PyObject_AssertFailed() even when NDEBUG is defined, + to avoid causing compiler/linker errors when building extensions without + NDEBUG against a Python built with NDEBUG defined. + + msg, expr and function can be NULL. */ +PyAPI_FUNC(void) _PyObject_AssertFailed( + PyObject *obj, + const char *expr, + const char *msg, + const char *file, + int line, + const char *function); + +/* Check if an object is consistent. For example, ensure that the reference + counter is greater than or equal to 1, and ensure that ob_type is not NULL. + + Call _PyObject_AssertFailed() if the object is inconsistent. + + If check_content is zero, only check header fields: reduce the overhead. + + The function always return 1. The return value is just here to be able to + write: + + assert(_PyObject_CheckConsistency(obj, 1)); */ +PyAPI_FUNC(int) _PyObject_CheckConsistency( + PyObject *op, + int check_content); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/objimpl.h b/python-headers-win/Include/cpython/objimpl.h new file mode 100644 index 000000000..f121922bc --- /dev/null +++ b/python-headers-win/Include/cpython/objimpl.h @@ -0,0 +1,113 @@ +#ifndef Py_CPYTHON_OBJIMPL_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +/* This function returns the number of allocated memory blocks, regardless of size */ +PyAPI_FUNC(Py_ssize_t) _Py_GetAllocatedBlocks(void); + +/* Macros */ +#ifdef WITH_PYMALLOC +PyAPI_FUNC(int) _PyObject_DebugMallocStats(FILE *out); +#endif + + +typedef struct { + /* user context passed as the first argument to the 2 functions */ + void *ctx; + + /* allocate an arena of size bytes */ + void* (*alloc) (void *ctx, size_t size); + + /* free an arena */ + void (*free) (void *ctx, void *ptr, size_t size); +} PyObjectArenaAllocator; + +/* Get the arena allocator. */ +PyAPI_FUNC(void) PyObject_GetArenaAllocator(PyObjectArenaAllocator *allocator); + +/* Set the arena allocator. */ +PyAPI_FUNC(void) PyObject_SetArenaAllocator(PyObjectArenaAllocator *allocator); + + +PyAPI_FUNC(Py_ssize_t) _PyGC_CollectNoFail(void); +PyAPI_FUNC(Py_ssize_t) _PyGC_CollectIfEnabled(void); + + +/* Test if an object has a GC head */ +#define PyObject_IS_GC(o) \ + (PyType_IS_GC(Py_TYPE(o)) \ + && (Py_TYPE(o)->tp_is_gc == NULL || Py_TYPE(o)->tp_is_gc(o))) + +/* GC information is stored BEFORE the object structure. */ +typedef struct { + // Pointer to next object in the list. + // 0 means the object is not tracked + uintptr_t _gc_next; + + // Pointer to previous object in the list. + // Lowest two bits are used for flags documented later. + uintptr_t _gc_prev; +} PyGC_Head; + +#define _Py_AS_GC(o) ((PyGC_Head *)(o)-1) + +/* True if the object is currently tracked by the GC. */ +#define _PyObject_GC_IS_TRACKED(o) (_Py_AS_GC(o)->_gc_next != 0) + +/* True if the object may be tracked by the GC in the future, or already is. + This can be useful to implement some optimizations. */ +#define _PyObject_GC_MAY_BE_TRACKED(obj) \ + (PyObject_IS_GC(obj) && \ + (!PyTuple_CheckExact(obj) || _PyObject_GC_IS_TRACKED(obj))) + + +/* Bit flags for _gc_prev */ +/* Bit 0 is set when tp_finalize is called */ +#define _PyGC_PREV_MASK_FINALIZED (1) +/* Bit 1 is set when the object is in generation which is GCed currently. */ +#define _PyGC_PREV_MASK_COLLECTING (2) +/* The (N-2) most significant bits contain the real address. */ +#define _PyGC_PREV_SHIFT (2) +#define _PyGC_PREV_MASK (((uintptr_t) -1) << _PyGC_PREV_SHIFT) + +// Lowest bit of _gc_next is used for flags only in GC. +// But it is always 0 for normal code. +#define _PyGCHead_NEXT(g) ((PyGC_Head*)(g)->_gc_next) +#define _PyGCHead_SET_NEXT(g, p) ((g)->_gc_next = (uintptr_t)(p)) + +// Lowest two bits of _gc_prev is used for _PyGC_PREV_MASK_* flags. +#define _PyGCHead_PREV(g) ((PyGC_Head*)((g)->_gc_prev & _PyGC_PREV_MASK)) +#define _PyGCHead_SET_PREV(g, p) do { \ + assert(((uintptr_t)p & ~_PyGC_PREV_MASK) == 0); \ + (g)->_gc_prev = ((g)->_gc_prev & ~_PyGC_PREV_MASK) \ + | ((uintptr_t)(p)); \ + } while (0) + +#define _PyGCHead_FINALIZED(g) \ + (((g)->_gc_prev & _PyGC_PREV_MASK_FINALIZED) != 0) +#define _PyGCHead_SET_FINALIZED(g) \ + ((g)->_gc_prev |= _PyGC_PREV_MASK_FINALIZED) + +#define _PyGC_FINALIZED(o) \ + _PyGCHead_FINALIZED(_Py_AS_GC(o)) +#define _PyGC_SET_FINALIZED(o) \ + _PyGCHead_SET_FINALIZED(_Py_AS_GC(o)) + + +PyAPI_FUNC(PyObject *) _PyObject_GC_Malloc(size_t size); +PyAPI_FUNC(PyObject *) _PyObject_GC_Calloc(size_t size); + + +/* Test if a type supports weak references */ +#define PyType_SUPPORTS_WEAKREFS(t) ((t)->tp_weaklistoffset > 0) + +#define PyObject_GET_WEAKREFS_LISTPTR(o) \ + ((PyObject **) (((char *) (o)) + Py_TYPE(o)->tp_weaklistoffset)) + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/pyerrors.h b/python-headers-win/Include/cpython/pyerrors.h new file mode 100644 index 000000000..e3098b392 --- /dev/null +++ b/python-headers-win/Include/cpython/pyerrors.h @@ -0,0 +1,182 @@ +#ifndef Py_CPYTHON_ERRORS_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +/* Error objects */ + +/* PyException_HEAD defines the initial segment of every exception class. */ +#define PyException_HEAD PyObject_HEAD PyObject *dict;\ + PyObject *args; PyObject *traceback;\ + PyObject *context; PyObject *cause;\ + char suppress_context; + +typedef struct { + PyException_HEAD +} PyBaseExceptionObject; + +typedef struct { + PyException_HEAD + PyObject *msg; + PyObject *filename; + PyObject *lineno; + PyObject *offset; + PyObject *text; + PyObject *print_file_and_line; +} PySyntaxErrorObject; + +typedef struct { + PyException_HEAD + PyObject *msg; + PyObject *name; + PyObject *path; +} PyImportErrorObject; + +typedef struct { + PyException_HEAD + PyObject *encoding; + PyObject *object; + Py_ssize_t start; + Py_ssize_t end; + PyObject *reason; +} PyUnicodeErrorObject; + +typedef struct { + PyException_HEAD + PyObject *code; +} PySystemExitObject; + +typedef struct { + PyException_HEAD + PyObject *myerrno; + PyObject *strerror; + PyObject *filename; + PyObject *filename2; +#ifdef MS_WINDOWS + PyObject *winerror; +#endif + Py_ssize_t written; /* only for BlockingIOError, -1 otherwise */ +} PyOSErrorObject; + +typedef struct { + PyException_HEAD + PyObject *value; +} PyStopIterationObject; + +/* Compatibility typedefs */ +typedef PyOSErrorObject PyEnvironmentErrorObject; +#ifdef MS_WINDOWS +typedef PyOSErrorObject PyWindowsErrorObject; +#endif + +/* Error handling definitions */ + +PyAPI_FUNC(void) _PyErr_SetKeyError(PyObject *); +_PyErr_StackItem *_PyErr_GetTopmostException(PyThreadState *tstate); + +/* Context manipulation (PEP 3134) */ + +PyAPI_FUNC(void) _PyErr_ChainExceptions(PyObject *, PyObject *, PyObject *); + +/* */ + +#define PyExceptionClass_Name(x) (((PyTypeObject*)(x))->tp_name) + +/* Convenience functions */ + +#ifdef MS_WINDOWS +Py_DEPRECATED(3.3) +PyAPI_FUNC(PyObject *) PyErr_SetFromErrnoWithUnicodeFilename( + PyObject *, const Py_UNICODE *); +#endif /* MS_WINDOWS */ + +/* Like PyErr_Format(), but saves current exception as __context__ and + __cause__. + */ +PyAPI_FUNC(PyObject *) _PyErr_FormatFromCause( + PyObject *exception, + const char *format, /* ASCII-encoded string */ + ... + ); + +#ifdef MS_WINDOWS +/* XXX redeclare to use WSTRING */ +Py_DEPRECATED(3.3) +PyAPI_FUNC(PyObject *) PyErr_SetFromWindowsErrWithUnicodeFilename( + int, const Py_UNICODE *); +Py_DEPRECATED(3.3) +PyAPI_FUNC(PyObject *) PyErr_SetExcFromWindowsErrWithUnicodeFilename( + PyObject *,int, const Py_UNICODE *); +#endif + +/* In exceptions.c */ + +/* Helper that attempts to replace the current exception with one of the + * same type but with a prefix added to the exception text. The resulting + * exception description looks like: + * + * prefix (exc_type: original_exc_str) + * + * Only some exceptions can be safely replaced. If the function determines + * it isn't safe to perform the replacement, it will leave the original + * unmodified exception in place. + * + * Returns a borrowed reference to the new exception (if any), NULL if the + * existing exception was left in place. + */ +PyAPI_FUNC(PyObject *) _PyErr_TrySetFromCause( + const char *prefix_format, /* ASCII-encoded string */ + ... + ); + +/* In signalmodule.c */ + +int PySignal_SetWakeupFd(int fd); +PyAPI_FUNC(int) _PyErr_CheckSignals(void); + +/* Support for adding program text to SyntaxErrors */ + +PyAPI_FUNC(void) PyErr_SyntaxLocationObject( + PyObject *filename, + int lineno, + int col_offset); + +PyAPI_FUNC(PyObject *) PyErr_ProgramTextObject( + PyObject *filename, + int lineno); + +/* Create a UnicodeEncodeError object */ +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject *) PyUnicodeEncodeError_Create( + const char *encoding, /* UTF-8 encoded string */ + const Py_UNICODE *object, + Py_ssize_t length, + Py_ssize_t start, + Py_ssize_t end, + const char *reason /* UTF-8 encoded string */ + ); + +/* Create a UnicodeTranslateError object */ +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject *) PyUnicodeTranslateError_Create( + const Py_UNICODE *object, + Py_ssize_t length, + Py_ssize_t start, + Py_ssize_t end, + const char *reason /* UTF-8 encoded string */ + ); +PyAPI_FUNC(PyObject *) _PyUnicodeTranslateError_Create( + PyObject *object, + Py_ssize_t start, + Py_ssize_t end, + const char *reason /* UTF-8 encoded string */ + ); + +PyAPI_FUNC(void) _PyErr_WriteUnraisableMsg( + const char *err_msg, + PyObject *obj); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/pylifecycle.h b/python-headers-win/Include/cpython/pylifecycle.h new file mode 100644 index 000000000..2f3a0dbdf --- /dev/null +++ b/python-headers-win/Include/cpython/pylifecycle.h @@ -0,0 +1,78 @@ +#ifndef Py_CPYTHON_PYLIFECYCLE_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +/* Only used by applications that embed the interpreter and need to + * override the standard encoding determination mechanism + */ +PyAPI_FUNC(int) Py_SetStandardStreamEncoding(const char *encoding, + const char *errors); + +/* PEP 432 Multi-phase initialization API (Private while provisional!) */ + +PyAPI_FUNC(PyStatus) Py_PreInitialize( + const PyPreConfig *src_config); +PyAPI_FUNC(PyStatus) Py_PreInitializeFromBytesArgs( + const PyPreConfig *src_config, + Py_ssize_t argc, + char **argv); +PyAPI_FUNC(PyStatus) Py_PreInitializeFromArgs( + const PyPreConfig *src_config, + Py_ssize_t argc, + wchar_t **argv); + +PyAPI_FUNC(int) _Py_IsCoreInitialized(void); + + +/* Initialization and finalization */ + +PyAPI_FUNC(PyStatus) Py_InitializeFromConfig( + const PyConfig *config); +PyAPI_FUNC(PyStatus) _Py_InitializeFromArgs( + const PyConfig *config, + Py_ssize_t argc, + char * const *argv); +PyAPI_FUNC(PyStatus) _Py_InitializeFromWideArgs( + const PyConfig *config, + Py_ssize_t argc, + wchar_t * const *argv); +PyAPI_FUNC(PyStatus) _Py_InitializeMain(void); + +PyAPI_FUNC(int) Py_RunMain(void); + + +PyAPI_FUNC(void) _Py_NO_RETURN Py_ExitStatusException(PyStatus err); + +/* Py_PyAtExit is for the atexit module, Py_AtExit is for low-level + * exit functions. + */ +PyAPI_FUNC(void) _Py_PyAtExit(void (*func)(PyObject *), PyObject *); + +/* Restore signals that the interpreter has called SIG_IGN on to SIG_DFL. */ +PyAPI_FUNC(void) _Py_RestoreSignals(void); + +PyAPI_FUNC(int) Py_FdIsInteractive(FILE *, const char *); + +PyAPI_FUNC(void) _Py_SetProgramFullPath(const wchar_t *); + +PyAPI_FUNC(const char *) _Py_gitidentifier(void); +PyAPI_FUNC(const char *) _Py_gitversion(void); + +PyAPI_FUNC(int) _Py_IsFinalizing(void); + +/* Random */ +PyAPI_FUNC(int) _PyOS_URandom(void *buffer, Py_ssize_t size); +PyAPI_FUNC(int) _PyOS_URandomNonblock(void *buffer, Py_ssize_t size); + +/* Legacy locale support */ +PyAPI_FUNC(int) _Py_CoerceLegacyLocale(int warn); +PyAPI_FUNC(int) _Py_LegacyLocaleDetected(int warn); +PyAPI_FUNC(char *) _Py_SetLocaleFromEnv(int category); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/pymem.h b/python-headers-win/Include/cpython/pymem.h new file mode 100644 index 000000000..79f063b12 --- /dev/null +++ b/python-headers-win/Include/cpython/pymem.h @@ -0,0 +1,108 @@ +#ifndef Py_CPYTHON_PYMEM_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_FUNC(void *) PyMem_RawMalloc(size_t size); +PyAPI_FUNC(void *) PyMem_RawCalloc(size_t nelem, size_t elsize); +PyAPI_FUNC(void *) PyMem_RawRealloc(void *ptr, size_t new_size); +PyAPI_FUNC(void) PyMem_RawFree(void *ptr); + +/* Try to get the allocators name set by _PyMem_SetupAllocators(). */ +PyAPI_FUNC(const char*) _PyMem_GetCurrentAllocatorName(void); + +PyAPI_FUNC(void *) PyMem_Calloc(size_t nelem, size_t elsize); + +/* strdup() using PyMem_RawMalloc() */ +PyAPI_FUNC(char *) _PyMem_RawStrdup(const char *str); + +/* strdup() using PyMem_Malloc() */ +PyAPI_FUNC(char *) _PyMem_Strdup(const char *str); + +/* wcsdup() using PyMem_RawMalloc() */ +PyAPI_FUNC(wchar_t*) _PyMem_RawWcsdup(const wchar_t *str); + + +typedef enum { + /* PyMem_RawMalloc(), PyMem_RawRealloc() and PyMem_RawFree() */ + PYMEM_DOMAIN_RAW, + + /* PyMem_Malloc(), PyMem_Realloc() and PyMem_Free() */ + PYMEM_DOMAIN_MEM, + + /* PyObject_Malloc(), PyObject_Realloc() and PyObject_Free() */ + PYMEM_DOMAIN_OBJ +} PyMemAllocatorDomain; + +typedef enum { + PYMEM_ALLOCATOR_NOT_SET = 0, + PYMEM_ALLOCATOR_DEFAULT = 1, + PYMEM_ALLOCATOR_DEBUG = 2, + PYMEM_ALLOCATOR_MALLOC = 3, + PYMEM_ALLOCATOR_MALLOC_DEBUG = 4, +#ifdef WITH_PYMALLOC + PYMEM_ALLOCATOR_PYMALLOC = 5, + PYMEM_ALLOCATOR_PYMALLOC_DEBUG = 6, +#endif +} PyMemAllocatorName; + + +typedef struct { + /* user context passed as the first argument to the 4 functions */ + void *ctx; + + /* allocate a memory block */ + void* (*malloc) (void *ctx, size_t size); + + /* allocate a memory block initialized by zeros */ + void* (*calloc) (void *ctx, size_t nelem, size_t elsize); + + /* allocate or resize a memory block */ + void* (*realloc) (void *ctx, void *ptr, size_t new_size); + + /* release a memory block */ + void (*free) (void *ctx, void *ptr); +} PyMemAllocatorEx; + +/* Get the memory block allocator of the specified domain. */ +PyAPI_FUNC(void) PyMem_GetAllocator(PyMemAllocatorDomain domain, + PyMemAllocatorEx *allocator); + +/* Set the memory block allocator of the specified domain. + + The new allocator must return a distinct non-NULL pointer when requesting + zero bytes. + + For the PYMEM_DOMAIN_RAW domain, the allocator must be thread-safe: the GIL + is not held when the allocator is called. + + If the new allocator is not a hook (don't call the previous allocator), the + PyMem_SetupDebugHooks() function must be called to reinstall the debug hooks + on top on the new allocator. */ +PyAPI_FUNC(void) PyMem_SetAllocator(PyMemAllocatorDomain domain, + PyMemAllocatorEx *allocator); + +/* Setup hooks to detect bugs in the following Python memory allocator + functions: + + - PyMem_RawMalloc(), PyMem_RawRealloc(), PyMem_RawFree() + - PyMem_Malloc(), PyMem_Realloc(), PyMem_Free() + - PyObject_Malloc(), PyObject_Realloc() and PyObject_Free() + + Newly allocated memory is filled with the byte 0xCB, freed memory is filled + with the byte 0xDB. Additional checks: + + - detect API violations, ex: PyObject_Free() called on a buffer allocated + by PyMem_Malloc() + - detect write before the start of the buffer (buffer underflow) + - detect write after the end of the buffer (buffer overflow) + + The function does nothing if Python is not compiled is debug mode. */ +PyAPI_FUNC(void) PyMem_SetupDebugHooks(void); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/pystate.h b/python-headers-win/Include/cpython/pystate.h new file mode 100644 index 000000000..94b0809cd --- /dev/null +++ b/python-headers-win/Include/cpython/pystate.h @@ -0,0 +1,251 @@ +#ifndef Py_CPYTHON_PYSTATE_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +#include "cpython/initconfig.h" + +PyAPI_FUNC(int) _PyInterpreterState_RequiresIDRef(PyInterpreterState *); +PyAPI_FUNC(void) _PyInterpreterState_RequireIDRef(PyInterpreterState *, int); + +PyAPI_FUNC(PyObject *) _PyInterpreterState_GetMainModule(PyInterpreterState *); + +/* State unique per thread */ + +/* Py_tracefunc return -1 when raising an exception, or 0 for success. */ +typedef int (*Py_tracefunc)(PyObject *, struct _frame *, int, PyObject *); + +/* The following values are used for 'what' for tracefunc functions + * + * To add a new kind of trace event, also update "trace_init" in + * Python/sysmodule.c to define the Python level event name + */ +#define PyTrace_CALL 0 +#define PyTrace_EXCEPTION 1 +#define PyTrace_LINE 2 +#define PyTrace_RETURN 3 +#define PyTrace_C_CALL 4 +#define PyTrace_C_EXCEPTION 5 +#define PyTrace_C_RETURN 6 +#define PyTrace_OPCODE 7 + + +typedef struct _err_stackitem { + /* This struct represents an entry on the exception stack, which is a + * per-coroutine state. (Coroutine in the computer science sense, + * including the thread and generators). + * This ensures that the exception state is not impacted by "yields" + * from an except handler. + */ + PyObject *exc_type, *exc_value, *exc_traceback; + + struct _err_stackitem *previous_item; + +} _PyErr_StackItem; + + +// The PyThreadState typedef is in Include/pystate.h. +struct _ts { + /* See Python/ceval.c for comments explaining most fields */ + + struct _ts *prev; + struct _ts *next; + PyInterpreterState *interp; + + struct _frame *frame; + int recursion_depth; + char overflowed; /* The stack has overflowed. Allow 50 more calls + to handle the runtime error. */ + char recursion_critical; /* The current calls must not cause + a stack overflow. */ + int stackcheck_counter; + + /* 'tracing' keeps track of the execution depth when tracing/profiling. + This is to prevent the actual trace/profile code from being recorded in + the trace/profile. */ + int tracing; + int use_tracing; + + Py_tracefunc c_profilefunc; + Py_tracefunc c_tracefunc; + PyObject *c_profileobj; + PyObject *c_traceobj; + + /* The exception currently being raised */ + PyObject *curexc_type; + PyObject *curexc_value; + PyObject *curexc_traceback; + + /* The exception currently being handled, if no coroutines/generators + * are present. Always last element on the stack referred to be exc_info. + */ + _PyErr_StackItem exc_state; + + /* Pointer to the top of the stack of the exceptions currently + * being handled */ + _PyErr_StackItem *exc_info; + + PyObject *dict; /* Stores per-thread state */ + + int gilstate_counter; + + PyObject *async_exc; /* Asynchronous exception to raise */ + unsigned long thread_id; /* Thread id where this tstate was created */ + + int trash_delete_nesting; + PyObject *trash_delete_later; + + /* Called when a thread state is deleted normally, but not when it + * is destroyed after fork(). + * Pain: to prevent rare but fatal shutdown errors (issue 18808), + * Thread.join() must wait for the join'ed thread's tstate to be unlinked + * from the tstate chain. That happens at the end of a thread's life, + * in pystate.c. + * The obvious way doesn't quite work: create a lock which the tstate + * unlinking code releases, and have Thread.join() wait to acquire that + * lock. The problem is that we _are_ at the end of the thread's life: + * if the thread holds the last reference to the lock, decref'ing the + * lock will delete the lock, and that may trigger arbitrary Python code + * if there's a weakref, with a callback, to the lock. But by this time + * _PyRuntime.gilstate.tstate_current is already NULL, so only the simplest + * of C code can be allowed to run (in particular it must not be possible to + * release the GIL). + * So instead of holding the lock directly, the tstate holds a weakref to + * the lock: that's the value of on_delete_data below. Decref'ing a + * weakref is harmless. + * on_delete points to _threadmodule.c's static release_sentinel() function. + * After the tstate is unlinked, release_sentinel is called with the + * weakref-to-lock (on_delete_data) argument, and release_sentinel releases + * the indirectly held lock. + */ + void (*on_delete)(void *); + void *on_delete_data; + + int coroutine_origin_tracking_depth; + + PyObject *async_gen_firstiter; + PyObject *async_gen_finalizer; + + PyObject *context; + uint64_t context_ver; + + /* Unique thread state id. */ + uint64_t id; + + /* XXX signal handlers should also be here */ + +}; + +/* Get the current interpreter state. + + Issue a fatal error if there no current Python thread state or no current + interpreter. It cannot return NULL. + + The caller must hold the GIL.*/ +PyAPI_FUNC(PyInterpreterState *) _PyInterpreterState_Get(void); + +PyAPI_FUNC(int) _PyState_AddModule(PyObject*, struct PyModuleDef*); +PyAPI_FUNC(void) _PyState_ClearModules(void); +PyAPI_FUNC(PyThreadState *) _PyThreadState_Prealloc(PyInterpreterState *); + +/* Similar to PyThreadState_Get(), but don't issue a fatal error + * if it is NULL. */ +PyAPI_FUNC(PyThreadState *) _PyThreadState_UncheckedGet(void); + +/* PyGILState */ + +/* Helper/diagnostic function - return 1 if the current thread + currently holds the GIL, 0 otherwise. + + The function returns 1 if _PyGILState_check_enabled is non-zero. */ +PyAPI_FUNC(int) PyGILState_Check(void); + +/* Get the single PyInterpreterState used by this process' GILState + implementation. + + This function doesn't check for error. Return NULL before _PyGILState_Init() + is called and after _PyGILState_Fini() is called. + + See also _PyInterpreterState_Get() and _PyInterpreterState_GET_UNSAFE(). */ +PyAPI_FUNC(PyInterpreterState *) _PyGILState_GetInterpreterStateUnsafe(void); + +/* The implementation of sys._current_frames() Returns a dict mapping + thread id to that thread's current frame. +*/ +PyAPI_FUNC(PyObject *) _PyThread_CurrentFrames(void); + +/* Routines for advanced debuggers, requested by David Beazley. + Don't use unless you know what you are doing! */ +PyAPI_FUNC(PyInterpreterState *) PyInterpreterState_Main(void); +PyAPI_FUNC(PyInterpreterState *) PyInterpreterState_Head(void); +PyAPI_FUNC(PyInterpreterState *) PyInterpreterState_Next(PyInterpreterState *); +PyAPI_FUNC(PyThreadState *) PyInterpreterState_ThreadHead(PyInterpreterState *); +PyAPI_FUNC(PyThreadState *) PyThreadState_Next(PyThreadState *); + +typedef struct _frame *(*PyThreadFrameGetter)(PyThreadState *self_); + +/* cross-interpreter data */ + +struct _xid; + +// _PyCrossInterpreterData is similar to Py_buffer as an effectively +// opaque struct that holds data outside the object machinery. This +// is necessary to pass safely between interpreters in the same process. +typedef struct _xid { + // data is the cross-interpreter-safe derivation of a Python object + // (see _PyObject_GetCrossInterpreterData). It will be NULL if the + // new_object func (below) encodes the data. + void *data; + // obj is the Python object from which the data was derived. This + // is non-NULL only if the data remains bound to the object in some + // way, such that the object must be "released" (via a decref) when + // the data is released. In that case the code that sets the field, + // likely a registered "crossinterpdatafunc", is responsible for + // ensuring it owns the reference (i.e. incref). + PyObject *obj; + // interp is the ID of the owning interpreter of the original + // object. It corresponds to the active interpreter when + // _PyObject_GetCrossInterpreterData() was called. This should only + // be set by the cross-interpreter machinery. + // + // We use the ID rather than the PyInterpreterState to avoid issues + // with deleted interpreters. Note that IDs are never re-used, so + // each one will always correspond to a specific interpreter + // (whether still alive or not). + int64_t interp; + // new_object is a function that returns a new object in the current + // interpreter given the data. The resulting object (a new + // reference) will be equivalent to the original object. This field + // is required. + PyObject *(*new_object)(struct _xid *); + // free is called when the data is released. If it is NULL then + // nothing will be done to free the data. For some types this is + // okay (e.g. bytes) and for those types this field should be set + // to NULL. However, for most the data was allocated just for + // cross-interpreter use, so it must be freed when + // _PyCrossInterpreterData_Release is called or the memory will + // leak. In that case, at the very least this field should be set + // to PyMem_RawFree (the default if not explicitly set to NULL). + // The call will happen with the original interpreter activated. + void (*free)(void *); +} _PyCrossInterpreterData; + +PyAPI_FUNC(int) _PyObject_GetCrossInterpreterData(PyObject *, _PyCrossInterpreterData *); +PyAPI_FUNC(PyObject *) _PyCrossInterpreterData_NewObject(_PyCrossInterpreterData *); +PyAPI_FUNC(void) _PyCrossInterpreterData_Release(_PyCrossInterpreterData *); + +PyAPI_FUNC(int) _PyObject_CheckCrossInterpreterData(PyObject *); + +/* cross-interpreter data registry */ + +typedef int (*crossinterpdatafunc)(PyObject *, struct _xid *); + +PyAPI_FUNC(int) _PyCrossInterpreterData_RegisterClass(PyTypeObject *, crossinterpdatafunc); +PyAPI_FUNC(crossinterpdatafunc) _PyCrossInterpreterData_Lookup(PyObject *); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/sysmodule.h b/python-headers-win/Include/cpython/sysmodule.h new file mode 100644 index 000000000..72d8ffed2 --- /dev/null +++ b/python-headers-win/Include/cpython/sysmodule.h @@ -0,0 +1,21 @@ +#ifndef Py_CPYTHON_SYSMODULE_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_FUNC(PyObject *) _PySys_GetObjectId(_Py_Identifier *key); +PyAPI_FUNC(int) _PySys_SetObjectId(_Py_Identifier *key, PyObject *); + +PyAPI_FUNC(size_t) _PySys_GetSizeOf(PyObject *); + +typedef int(*Py_AuditHookFunction)(const char *, PyObject *, void *); + +PyAPI_FUNC(int) PySys_Audit(const char*, const char *, ...); +PyAPI_FUNC(int) PySys_AddAuditHook(Py_AuditHookFunction, void*); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/traceback.h b/python-headers-win/Include/cpython/traceback.h new file mode 100644 index 000000000..746097daa --- /dev/null +++ b/python-headers-win/Include/cpython/traceback.h @@ -0,0 +1,22 @@ +#ifndef Py_CPYTHON_TRACEBACK_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +typedef struct _traceback { + PyObject_HEAD + struct _traceback *tb_next; + struct _frame *tb_frame; + int tb_lasti; + int tb_lineno; +} PyTracebackObject; + +PyAPI_FUNC(int) _Py_DisplaySourceLine(PyObject *, PyObject *, int, int); +PyAPI_FUNC(void) _PyTraceback_Add(const char *, const char *, int); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/tupleobject.h b/python-headers-win/Include/cpython/tupleobject.h new file mode 100644 index 000000000..1565f2a5c --- /dev/null +++ b/python-headers-win/Include/cpython/tupleobject.h @@ -0,0 +1,36 @@ +#ifndef Py_CPYTHON_TUPLEOBJECT_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +typedef struct { + PyObject_VAR_HEAD + /* ob_item contains space for 'ob_size' elements. + Items must normally not be NULL, except during construction when + the tuple is not yet visible outside the function that builds it. */ + PyObject *ob_item[1]; +} PyTupleObject; + +PyAPI_FUNC(int) _PyTuple_Resize(PyObject **, Py_ssize_t); +PyAPI_FUNC(void) _PyTuple_MaybeUntrack(PyObject *); + +/* Macros trading safety for speed */ + +/* Cast argument to PyTupleObject* type. */ +#define _PyTuple_CAST(op) (assert(PyTuple_Check(op)), (PyTupleObject *)(op)) + +#define PyTuple_GET_SIZE(op) Py_SIZE(_PyTuple_CAST(op)) + +#define PyTuple_GET_ITEM(op, i) (_PyTuple_CAST(op)->ob_item[i]) + +/* Macro, *only* to be used to fill in brand new tuples */ +#define PyTuple_SET_ITEM(op, i, v) (_PyTuple_CAST(op)->ob_item[i] = v) + +PyAPI_FUNC(void) _PyTuple_DebugMallocStats(FILE *out); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/cpython/unicodeobject.h b/python-headers-win/Include/cpython/unicodeobject.h new file mode 100644 index 000000000..54a13e32b --- /dev/null +++ b/python-headers-win/Include/cpython/unicodeobject.h @@ -0,0 +1,1239 @@ +#ifndef Py_CPYTHON_UNICODEOBJECT_H +# error "this header file must not be included directly" +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +/* Py_UNICODE was the native Unicode storage format (code unit) used by + Python and represents a single Unicode element in the Unicode type. + With PEP 393, Py_UNICODE is deprecated and replaced with a + typedef to wchar_t. */ +#define PY_UNICODE_TYPE wchar_t +/* Py_DEPRECATED(3.3) */ typedef wchar_t Py_UNICODE; + +/* --- Internal Unicode Operations ---------------------------------------- */ + +/* Since splitting on whitespace is an important use case, and + whitespace in most situations is solely ASCII whitespace, we + optimize for the common case by using a quick look-up table + _Py_ascii_whitespace (see below) with an inlined check. + + */ +#define Py_UNICODE_ISSPACE(ch) \ + ((ch) < 128U ? _Py_ascii_whitespace[(ch)] : _PyUnicode_IsWhitespace(ch)) + +#define Py_UNICODE_ISLOWER(ch) _PyUnicode_IsLowercase(ch) +#define Py_UNICODE_ISUPPER(ch) _PyUnicode_IsUppercase(ch) +#define Py_UNICODE_ISTITLE(ch) _PyUnicode_IsTitlecase(ch) +#define Py_UNICODE_ISLINEBREAK(ch) _PyUnicode_IsLinebreak(ch) + +#define Py_UNICODE_TOLOWER(ch) _PyUnicode_ToLowercase(ch) +#define Py_UNICODE_TOUPPER(ch) _PyUnicode_ToUppercase(ch) +#define Py_UNICODE_TOTITLE(ch) _PyUnicode_ToTitlecase(ch) + +#define Py_UNICODE_ISDECIMAL(ch) _PyUnicode_IsDecimalDigit(ch) +#define Py_UNICODE_ISDIGIT(ch) _PyUnicode_IsDigit(ch) +#define Py_UNICODE_ISNUMERIC(ch) _PyUnicode_IsNumeric(ch) +#define Py_UNICODE_ISPRINTABLE(ch) _PyUnicode_IsPrintable(ch) + +#define Py_UNICODE_TODECIMAL(ch) _PyUnicode_ToDecimalDigit(ch) +#define Py_UNICODE_TODIGIT(ch) _PyUnicode_ToDigit(ch) +#define Py_UNICODE_TONUMERIC(ch) _PyUnicode_ToNumeric(ch) + +#define Py_UNICODE_ISALPHA(ch) _PyUnicode_IsAlpha(ch) + +#define Py_UNICODE_ISALNUM(ch) \ + (Py_UNICODE_ISALPHA(ch) || \ + Py_UNICODE_ISDECIMAL(ch) || \ + Py_UNICODE_ISDIGIT(ch) || \ + Py_UNICODE_ISNUMERIC(ch)) + +#define Py_UNICODE_COPY(target, source, length) \ + memcpy((target), (source), (length)*sizeof(Py_UNICODE)) + +#define Py_UNICODE_FILL(target, value, length) \ + do {Py_ssize_t i_; Py_UNICODE *t_ = (target); Py_UNICODE v_ = (value);\ + for (i_ = 0; i_ < (length); i_++) t_[i_] = v_;\ + } while (0) + +/* macros to work with surrogates */ +#define Py_UNICODE_IS_SURROGATE(ch) (0xD800 <= (ch) && (ch) <= 0xDFFF) +#define Py_UNICODE_IS_HIGH_SURROGATE(ch) (0xD800 <= (ch) && (ch) <= 0xDBFF) +#define Py_UNICODE_IS_LOW_SURROGATE(ch) (0xDC00 <= (ch) && (ch) <= 0xDFFF) +/* Join two surrogate characters and return a single Py_UCS4 value. */ +#define Py_UNICODE_JOIN_SURROGATES(high, low) \ + (((((Py_UCS4)(high) & 0x03FF) << 10) | \ + ((Py_UCS4)(low) & 0x03FF)) + 0x10000) +/* high surrogate = top 10 bits added to D800 */ +#define Py_UNICODE_HIGH_SURROGATE(ch) (0xD800 - (0x10000 >> 10) + ((ch) >> 10)) +/* low surrogate = bottom 10 bits added to DC00 */ +#define Py_UNICODE_LOW_SURROGATE(ch) (0xDC00 + ((ch) & 0x3FF)) + +/* Check if substring matches at given offset. The offset must be + valid, and the substring must not be empty. */ + +#define Py_UNICODE_MATCH(string, offset, substring) \ + ((*((string)->wstr + (offset)) == *((substring)->wstr)) && \ + ((*((string)->wstr + (offset) + (substring)->wstr_length-1) == *((substring)->wstr + (substring)->wstr_length-1))) && \ + !memcmp((string)->wstr + (offset), (substring)->wstr, (substring)->wstr_length*sizeof(Py_UNICODE))) + +/* --- Unicode Type ------------------------------------------------------- */ + +/* ASCII-only strings created through PyUnicode_New use the PyASCIIObject + structure. state.ascii and state.compact are set, and the data + immediately follow the structure. utf8_length and wstr_length can be found + in the length field; the utf8 pointer is equal to the data pointer. */ +typedef struct { + /* There are 4 forms of Unicode strings: + + - compact ascii: + + * structure = PyASCIIObject + * test: PyUnicode_IS_COMPACT_ASCII(op) + * kind = PyUnicode_1BYTE_KIND + * compact = 1 + * ascii = 1 + * ready = 1 + * (length is the length of the utf8 and wstr strings) + * (data starts just after the structure) + * (since ASCII is decoded from UTF-8, the utf8 string are the data) + + - compact: + + * structure = PyCompactUnicodeObject + * test: PyUnicode_IS_COMPACT(op) && !PyUnicode_IS_ASCII(op) + * kind = PyUnicode_1BYTE_KIND, PyUnicode_2BYTE_KIND or + PyUnicode_4BYTE_KIND + * compact = 1 + * ready = 1 + * ascii = 0 + * utf8 is not shared with data + * utf8_length = 0 if utf8 is NULL + * wstr is shared with data and wstr_length=length + if kind=PyUnicode_2BYTE_KIND and sizeof(wchar_t)=2 + or if kind=PyUnicode_4BYTE_KIND and sizeof(wchar_t)=4 + * wstr_length = 0 if wstr is NULL + * (data starts just after the structure) + + - legacy string, not ready: + + * structure = PyUnicodeObject + * test: kind == PyUnicode_WCHAR_KIND + * length = 0 (use wstr_length) + * hash = -1 + * kind = PyUnicode_WCHAR_KIND + * compact = 0 + * ascii = 0 + * ready = 0 + * interned = SSTATE_NOT_INTERNED + * wstr is not NULL + * data.any is NULL + * utf8 is NULL + * utf8_length = 0 + + - legacy string, ready: + + * structure = PyUnicodeObject structure + * test: !PyUnicode_IS_COMPACT(op) && kind != PyUnicode_WCHAR_KIND + * kind = PyUnicode_1BYTE_KIND, PyUnicode_2BYTE_KIND or + PyUnicode_4BYTE_KIND + * compact = 0 + * ready = 1 + * data.any is not NULL + * utf8 is shared and utf8_length = length with data.any if ascii = 1 + * utf8_length = 0 if utf8 is NULL + * wstr is shared with data.any and wstr_length = length + if kind=PyUnicode_2BYTE_KIND and sizeof(wchar_t)=2 + or if kind=PyUnicode_4BYTE_KIND and sizeof(wchar_4)=4 + * wstr_length = 0 if wstr is NULL + + Compact strings use only one memory block (structure + characters), + whereas legacy strings use one block for the structure and one block + for characters. + + Legacy strings are created by PyUnicode_FromUnicode() and + PyUnicode_FromStringAndSize(NULL, size) functions. They become ready + when PyUnicode_READY() is called. + + See also _PyUnicode_CheckConsistency(). + */ + PyObject_HEAD + Py_ssize_t length; /* Number of code points in the string */ + Py_hash_t hash; /* Hash value; -1 if not set */ + struct { + /* + SSTATE_NOT_INTERNED (0) + SSTATE_INTERNED_MORTAL (1) + SSTATE_INTERNED_IMMORTAL (2) + + If interned != SSTATE_NOT_INTERNED, the two references from the + dictionary to this object are *not* counted in ob_refcnt. + */ + unsigned int interned:2; + /* Character size: + + - PyUnicode_WCHAR_KIND (0): + + * character type = wchar_t (16 or 32 bits, depending on the + platform) + + - PyUnicode_1BYTE_KIND (1): + + * character type = Py_UCS1 (8 bits, unsigned) + * all characters are in the range U+0000-U+00FF (latin1) + * if ascii is set, all characters are in the range U+0000-U+007F + (ASCII), otherwise at least one character is in the range + U+0080-U+00FF + + - PyUnicode_2BYTE_KIND (2): + + * character type = Py_UCS2 (16 bits, unsigned) + * all characters are in the range U+0000-U+FFFF (BMP) + * at least one character is in the range U+0100-U+FFFF + + - PyUnicode_4BYTE_KIND (4): + + * character type = Py_UCS4 (32 bits, unsigned) + * all characters are in the range U+0000-U+10FFFF + * at least one character is in the range U+10000-U+10FFFF + */ + unsigned int kind:3; + /* Compact is with respect to the allocation scheme. Compact unicode + objects only require one memory block while non-compact objects use + one block for the PyUnicodeObject struct and another for its data + buffer. */ + unsigned int compact:1; + /* The string only contains characters in the range U+0000-U+007F (ASCII) + and the kind is PyUnicode_1BYTE_KIND. If ascii is set and compact is + set, use the PyASCIIObject structure. */ + unsigned int ascii:1; + /* The ready flag indicates whether the object layout is initialized + completely. This means that this is either a compact object, or + the data pointer is filled out. The bit is redundant, and helps + to minimize the test in PyUnicode_IS_READY(). */ + unsigned int ready:1; + /* Padding to ensure that PyUnicode_DATA() is always aligned to + 4 bytes (see issue #19537 on m68k). */ + unsigned int :24; + } state; + wchar_t *wstr; /* wchar_t representation (null-terminated) */ +} PyASCIIObject; + +/* Non-ASCII strings allocated through PyUnicode_New use the + PyCompactUnicodeObject structure. state.compact is set, and the data + immediately follow the structure. */ +typedef struct { + PyASCIIObject _base; + Py_ssize_t utf8_length; /* Number of bytes in utf8, excluding the + * terminating \0. */ + char *utf8; /* UTF-8 representation (null-terminated) */ + Py_ssize_t wstr_length; /* Number of code points in wstr, possible + * surrogates count as two code points. */ +} PyCompactUnicodeObject; + +/* Strings allocated through PyUnicode_FromUnicode(NULL, len) use the + PyUnicodeObject structure. The actual string data is initially in the wstr + block, and copied into the data block using _PyUnicode_Ready. */ +typedef struct { + PyCompactUnicodeObject _base; + union { + void *any; + Py_UCS1 *latin1; + Py_UCS2 *ucs2; + Py_UCS4 *ucs4; + } data; /* Canonical, smallest-form Unicode buffer */ +} PyUnicodeObject; + +PyAPI_FUNC(int) _PyUnicode_CheckConsistency( + PyObject *op, + int check_content); + +/* Fast access macros */ +#define PyUnicode_WSTR_LENGTH(op) \ + (PyUnicode_IS_COMPACT_ASCII(op) ? \ + ((PyASCIIObject*)op)->length : \ + ((PyCompactUnicodeObject*)op)->wstr_length) + +/* Returns the deprecated Py_UNICODE representation's size in code units + (this includes surrogate pairs as 2 units). + If the Py_UNICODE representation is not available, it will be computed + on request. Use PyUnicode_GET_LENGTH() for the length in code points. */ + +/* Py_DEPRECATED(3.3) */ +#define PyUnicode_GET_SIZE(op) \ + (assert(PyUnicode_Check(op)), \ + (((PyASCIIObject *)(op))->wstr) ? \ + PyUnicode_WSTR_LENGTH(op) : \ + ((void)PyUnicode_AsUnicode(_PyObject_CAST(op)),\ + assert(((PyASCIIObject *)(op))->wstr), \ + PyUnicode_WSTR_LENGTH(op))) + +/* Py_DEPRECATED(3.3) */ +#define PyUnicode_GET_DATA_SIZE(op) \ + (PyUnicode_GET_SIZE(op) * Py_UNICODE_SIZE) + +/* Alias for PyUnicode_AsUnicode(). This will create a wchar_t/Py_UNICODE + representation on demand. Using this macro is very inefficient now, + try to port your code to use the new PyUnicode_*BYTE_DATA() macros or + use PyUnicode_WRITE() and PyUnicode_READ(). */ + +/* Py_DEPRECATED(3.3) */ +#define PyUnicode_AS_UNICODE(op) \ + (assert(PyUnicode_Check(op)), \ + (((PyASCIIObject *)(op))->wstr) ? (((PyASCIIObject *)(op))->wstr) : \ + PyUnicode_AsUnicode(_PyObject_CAST(op))) + +/* Py_DEPRECATED(3.3) */ +#define PyUnicode_AS_DATA(op) \ + ((const char *)(PyUnicode_AS_UNICODE(op))) + + +/* --- Flexible String Representation Helper Macros (PEP 393) -------------- */ + +/* Values for PyASCIIObject.state: */ + +/* Interning state. */ +#define SSTATE_NOT_INTERNED 0 +#define SSTATE_INTERNED_MORTAL 1 +#define SSTATE_INTERNED_IMMORTAL 2 + +/* Return true if the string contains only ASCII characters, or 0 if not. The + string may be compact (PyUnicode_IS_COMPACT_ASCII) or not, but must be + ready. */ +#define PyUnicode_IS_ASCII(op) \ + (assert(PyUnicode_Check(op)), \ + assert(PyUnicode_IS_READY(op)), \ + ((PyASCIIObject*)op)->state.ascii) + +/* Return true if the string is compact or 0 if not. + No type checks or Ready calls are performed. */ +#define PyUnicode_IS_COMPACT(op) \ + (((PyASCIIObject*)(op))->state.compact) + +/* Return true if the string is a compact ASCII string (use PyASCIIObject + structure), or 0 if not. No type checks or Ready calls are performed. */ +#define PyUnicode_IS_COMPACT_ASCII(op) \ + (((PyASCIIObject*)op)->state.ascii && PyUnicode_IS_COMPACT(op)) + +enum PyUnicode_Kind { +/* String contains only wstr byte characters. This is only possible + when the string was created with a legacy API and _PyUnicode_Ready() + has not been called yet. */ + PyUnicode_WCHAR_KIND = 0, +/* Return values of the PyUnicode_KIND() macro: */ + PyUnicode_1BYTE_KIND = 1, + PyUnicode_2BYTE_KIND = 2, + PyUnicode_4BYTE_KIND = 4 +}; + +/* Return pointers to the canonical representation cast to unsigned char, + Py_UCS2, or Py_UCS4 for direct character access. + No checks are performed, use PyUnicode_KIND() before to ensure + these will work correctly. */ + +#define PyUnicode_1BYTE_DATA(op) ((Py_UCS1*)PyUnicode_DATA(op)) +#define PyUnicode_2BYTE_DATA(op) ((Py_UCS2*)PyUnicode_DATA(op)) +#define PyUnicode_4BYTE_DATA(op) ((Py_UCS4*)PyUnicode_DATA(op)) + +/* Return one of the PyUnicode_*_KIND values defined above. */ +#define PyUnicode_KIND(op) \ + (assert(PyUnicode_Check(op)), \ + assert(PyUnicode_IS_READY(op)), \ + ((PyASCIIObject *)(op))->state.kind) + +/* Return a void pointer to the raw unicode buffer. */ +#define _PyUnicode_COMPACT_DATA(op) \ + (PyUnicode_IS_ASCII(op) ? \ + ((void*)((PyASCIIObject*)(op) + 1)) : \ + ((void*)((PyCompactUnicodeObject*)(op) + 1))) + +#define _PyUnicode_NONCOMPACT_DATA(op) \ + (assert(((PyUnicodeObject*)(op))->data.any), \ + ((((PyUnicodeObject *)(op))->data.any))) + +#define PyUnicode_DATA(op) \ + (assert(PyUnicode_Check(op)), \ + PyUnicode_IS_COMPACT(op) ? _PyUnicode_COMPACT_DATA(op) : \ + _PyUnicode_NONCOMPACT_DATA(op)) + +/* In the access macros below, "kind" may be evaluated more than once. + All other macro parameters are evaluated exactly once, so it is safe + to put side effects into them (such as increasing the index). */ + +/* Write into the canonical representation, this macro does not do any sanity + checks and is intended for usage in loops. The caller should cache the + kind and data pointers obtained from other macro calls. + index is the index in the string (starts at 0) and value is the new + code point value which should be written to that location. */ +#define PyUnicode_WRITE(kind, data, index, value) \ + do { \ + switch ((kind)) { \ + case PyUnicode_1BYTE_KIND: { \ + ((Py_UCS1 *)(data))[(index)] = (Py_UCS1)(value); \ + break; \ + } \ + case PyUnicode_2BYTE_KIND: { \ + ((Py_UCS2 *)(data))[(index)] = (Py_UCS2)(value); \ + break; \ + } \ + default: { \ + assert((kind) == PyUnicode_4BYTE_KIND); \ + ((Py_UCS4 *)(data))[(index)] = (Py_UCS4)(value); \ + } \ + } \ + } while (0) + +/* Read a code point from the string's canonical representation. No checks + or ready calls are performed. */ +#define PyUnicode_READ(kind, data, index) \ + ((Py_UCS4) \ + ((kind) == PyUnicode_1BYTE_KIND ? \ + ((const Py_UCS1 *)(data))[(index)] : \ + ((kind) == PyUnicode_2BYTE_KIND ? \ + ((const Py_UCS2 *)(data))[(index)] : \ + ((const Py_UCS4 *)(data))[(index)] \ + ) \ + )) + +/* PyUnicode_READ_CHAR() is less efficient than PyUnicode_READ() because it + calls PyUnicode_KIND() and might call it twice. For single reads, use + PyUnicode_READ_CHAR, for multiple consecutive reads callers should + cache kind and use PyUnicode_READ instead. */ +#define PyUnicode_READ_CHAR(unicode, index) \ + (assert(PyUnicode_Check(unicode)), \ + assert(PyUnicode_IS_READY(unicode)), \ + (Py_UCS4) \ + (PyUnicode_KIND((unicode)) == PyUnicode_1BYTE_KIND ? \ + ((const Py_UCS1 *)(PyUnicode_DATA((unicode))))[(index)] : \ + (PyUnicode_KIND((unicode)) == PyUnicode_2BYTE_KIND ? \ + ((const Py_UCS2 *)(PyUnicode_DATA((unicode))))[(index)] : \ + ((const Py_UCS4 *)(PyUnicode_DATA((unicode))))[(index)] \ + ) \ + )) + +/* Returns the length of the unicode string. The caller has to make sure that + the string has it's canonical representation set before calling + this macro. Call PyUnicode_(FAST_)Ready to ensure that. */ +#define PyUnicode_GET_LENGTH(op) \ + (assert(PyUnicode_Check(op)), \ + assert(PyUnicode_IS_READY(op)), \ + ((PyASCIIObject *)(op))->length) + + +/* Fast check to determine whether an object is ready. Equivalent to + PyUnicode_IS_COMPACT(op) || ((PyUnicodeObject*)(op))->data.any) */ + +#define PyUnicode_IS_READY(op) (((PyASCIIObject*)op)->state.ready) + +/* PyUnicode_READY() does less work than _PyUnicode_Ready() in the best + case. If the canonical representation is not yet set, it will still call + _PyUnicode_Ready(). + Returns 0 on success and -1 on errors. */ +#define PyUnicode_READY(op) \ + (assert(PyUnicode_Check(op)), \ + (PyUnicode_IS_READY(op) ? \ + 0 : _PyUnicode_Ready(_PyObject_CAST(op)))) + +/* Return a maximum character value which is suitable for creating another + string based on op. This is always an approximation but more efficient + than iterating over the string. */ +#define PyUnicode_MAX_CHAR_VALUE(op) \ + (assert(PyUnicode_IS_READY(op)), \ + (PyUnicode_IS_ASCII(op) ? \ + (0x7f) : \ + (PyUnicode_KIND(op) == PyUnicode_1BYTE_KIND ? \ + (0xffU) : \ + (PyUnicode_KIND(op) == PyUnicode_2BYTE_KIND ? \ + (0xffffU) : \ + (0x10ffffU))))) + +/* === Public API ========================================================= */ + +/* --- Plain Py_UNICODE --------------------------------------------------- */ + +/* With PEP 393, this is the recommended way to allocate a new unicode object. + This function will allocate the object and its buffer in a single memory + block. Objects created using this function are not resizable. */ +PyAPI_FUNC(PyObject*) PyUnicode_New( + Py_ssize_t size, /* Number of code points in the new string */ + Py_UCS4 maxchar /* maximum code point value in the string */ + ); + +/* Initializes the canonical string representation from the deprecated + wstr/Py_UNICODE representation. This function is used to convert Unicode + objects which were created using the old API to the new flexible format + introduced with PEP 393. + + Don't call this function directly, use the public PyUnicode_READY() macro + instead. */ +PyAPI_FUNC(int) _PyUnicode_Ready( + PyObject *unicode /* Unicode object */ + ); + +/* Get a copy of a Unicode string. */ +PyAPI_FUNC(PyObject*) _PyUnicode_Copy( + PyObject *unicode + ); + +/* Copy character from one unicode object into another, this function performs + character conversion when necessary and falls back to memcpy() if possible. + + Fail if to is too small (smaller than *how_many* or smaller than + len(from)-from_start), or if kind(from[from_start:from_start+how_many]) > + kind(to), or if *to* has more than 1 reference. + + Return the number of written character, or return -1 and raise an exception + on error. + + Pseudo-code: + + how_many = min(how_many, len(from) - from_start) + to[to_start:to_start+how_many] = from[from_start:from_start+how_many] + return how_many + + Note: The function doesn't write a terminating null character. + */ +PyAPI_FUNC(Py_ssize_t) PyUnicode_CopyCharacters( + PyObject *to, + Py_ssize_t to_start, + PyObject *from, + Py_ssize_t from_start, + Py_ssize_t how_many + ); + +/* Unsafe version of PyUnicode_CopyCharacters(): don't check arguments and so + may crash if parameters are invalid (e.g. if the output string + is too short). */ +PyAPI_FUNC(void) _PyUnicode_FastCopyCharacters( + PyObject *to, + Py_ssize_t to_start, + PyObject *from, + Py_ssize_t from_start, + Py_ssize_t how_many + ); + +/* Fill a string with a character: write fill_char into + unicode[start:start+length]. + + Fail if fill_char is bigger than the string maximum character, or if the + string has more than 1 reference. + + Return the number of written character, or return -1 and raise an exception + on error. */ +PyAPI_FUNC(Py_ssize_t) PyUnicode_Fill( + PyObject *unicode, + Py_ssize_t start, + Py_ssize_t length, + Py_UCS4 fill_char + ); + +/* Unsafe version of PyUnicode_Fill(): don't check arguments and so may crash + if parameters are invalid (e.g. if length is longer than the string). */ +PyAPI_FUNC(void) _PyUnicode_FastFill( + PyObject *unicode, + Py_ssize_t start, + Py_ssize_t length, + Py_UCS4 fill_char + ); + +/* Create a Unicode Object from the Py_UNICODE buffer u of the given + size. + + u may be NULL which causes the contents to be undefined. It is the + user's responsibility to fill in the needed data afterwards. Note + that modifying the Unicode object contents after construction is + only allowed if u was set to NULL. + + The buffer is copied into the new object. */ +/* Py_DEPRECATED(3.3) */ PyAPI_FUNC(PyObject*) PyUnicode_FromUnicode( + const Py_UNICODE *u, /* Unicode buffer */ + Py_ssize_t size /* size of buffer */ + ); + +/* Create a new string from a buffer of Py_UCS1, Py_UCS2 or Py_UCS4 characters. + Scan the string to find the maximum character. */ +PyAPI_FUNC(PyObject*) PyUnicode_FromKindAndData( + int kind, + const void *buffer, + Py_ssize_t size); + +/* Create a new string from a buffer of ASCII characters. + WARNING: Don't check if the string contains any non-ASCII character. */ +PyAPI_FUNC(PyObject*) _PyUnicode_FromASCII( + const char *buffer, + Py_ssize_t size); + +/* Compute the maximum character of the substring unicode[start:end]. + Return 127 for an empty string. */ +PyAPI_FUNC(Py_UCS4) _PyUnicode_FindMaxChar ( + PyObject *unicode, + Py_ssize_t start, + Py_ssize_t end); + +/* Return a read-only pointer to the Unicode object's internal + Py_UNICODE buffer. + If the wchar_t/Py_UNICODE representation is not yet available, this + function will calculate it. */ +/* Py_DEPRECATED(3.3) */ PyAPI_FUNC(Py_UNICODE *) PyUnicode_AsUnicode( + PyObject *unicode /* Unicode object */ + ); + +/* Similar to PyUnicode_AsUnicode(), but raises a ValueError if the string + contains null characters. */ +PyAPI_FUNC(const Py_UNICODE *) _PyUnicode_AsUnicode( + PyObject *unicode /* Unicode object */ + ); + +/* Return a read-only pointer to the Unicode object's internal + Py_UNICODE buffer and save the length at size. + If the wchar_t/Py_UNICODE representation is not yet available, this + function will calculate it. */ + +/* Py_DEPRECATED(3.3) */ PyAPI_FUNC(Py_UNICODE *) PyUnicode_AsUnicodeAndSize( + PyObject *unicode, /* Unicode object */ + Py_ssize_t *size /* location where to save the length */ + ); + +/* Get the maximum ordinal for a Unicode character. */ +Py_DEPRECATED(3.3) PyAPI_FUNC(Py_UNICODE) PyUnicode_GetMax(void); + + +/* --- _PyUnicodeWriter API ----------------------------------------------- */ + +typedef struct { + PyObject *buffer; + void *data; + enum PyUnicode_Kind kind; + Py_UCS4 maxchar; + Py_ssize_t size; + Py_ssize_t pos; + + /* minimum number of allocated characters (default: 0) */ + Py_ssize_t min_length; + + /* minimum character (default: 127, ASCII) */ + Py_UCS4 min_char; + + /* If non-zero, overallocate the buffer (default: 0). */ + unsigned char overallocate; + + /* If readonly is 1, buffer is a shared string (cannot be modified) + and size is set to 0. */ + unsigned char readonly; +} _PyUnicodeWriter ; + +/* Initialize a Unicode writer. + * + * By default, the minimum buffer size is 0 character and overallocation is + * disabled. Set min_length, min_char and overallocate attributes to control + * the allocation of the buffer. */ +PyAPI_FUNC(void) +_PyUnicodeWriter_Init(_PyUnicodeWriter *writer); + +/* Prepare the buffer to write 'length' characters + with the specified maximum character. + + Return 0 on success, raise an exception and return -1 on error. */ +#define _PyUnicodeWriter_Prepare(WRITER, LENGTH, MAXCHAR) \ + (((MAXCHAR) <= (WRITER)->maxchar \ + && (LENGTH) <= (WRITER)->size - (WRITER)->pos) \ + ? 0 \ + : (((LENGTH) == 0) \ + ? 0 \ + : _PyUnicodeWriter_PrepareInternal((WRITER), (LENGTH), (MAXCHAR)))) + +/* Don't call this function directly, use the _PyUnicodeWriter_Prepare() macro + instead. */ +PyAPI_FUNC(int) +_PyUnicodeWriter_PrepareInternal(_PyUnicodeWriter *writer, + Py_ssize_t length, Py_UCS4 maxchar); + +/* Prepare the buffer to have at least the kind KIND. + For example, kind=PyUnicode_2BYTE_KIND ensures that the writer will + support characters in range U+000-U+FFFF. + + Return 0 on success, raise an exception and return -1 on error. */ +#define _PyUnicodeWriter_PrepareKind(WRITER, KIND) \ + (assert((KIND) != PyUnicode_WCHAR_KIND), \ + (KIND) <= (WRITER)->kind \ + ? 0 \ + : _PyUnicodeWriter_PrepareKindInternal((WRITER), (KIND))) + +/* Don't call this function directly, use the _PyUnicodeWriter_PrepareKind() + macro instead. */ +PyAPI_FUNC(int) +_PyUnicodeWriter_PrepareKindInternal(_PyUnicodeWriter *writer, + enum PyUnicode_Kind kind); + +/* Append a Unicode character. + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) +_PyUnicodeWriter_WriteChar(_PyUnicodeWriter *writer, + Py_UCS4 ch + ); + +/* Append a Unicode string. + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) +_PyUnicodeWriter_WriteStr(_PyUnicodeWriter *writer, + PyObject *str /* Unicode string */ + ); + +/* Append a substring of a Unicode string. + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) +_PyUnicodeWriter_WriteSubstring(_PyUnicodeWriter *writer, + PyObject *str, /* Unicode string */ + Py_ssize_t start, + Py_ssize_t end + ); + +/* Append an ASCII-encoded byte string. + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) +_PyUnicodeWriter_WriteASCIIString(_PyUnicodeWriter *writer, + const char *str, /* ASCII-encoded byte string */ + Py_ssize_t len /* number of bytes, or -1 if unknown */ + ); + +/* Append a latin1-encoded byte string. + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) +_PyUnicodeWriter_WriteLatin1String(_PyUnicodeWriter *writer, + const char *str, /* latin1-encoded byte string */ + Py_ssize_t len /* length in bytes */ + ); + +/* Get the value of the writer as a Unicode string. Clear the + buffer of the writer. Raise an exception and return NULL + on error. */ +PyAPI_FUNC(PyObject *) +_PyUnicodeWriter_Finish(_PyUnicodeWriter *writer); + +/* Deallocate memory of a writer (clear its internal buffer). */ +PyAPI_FUNC(void) +_PyUnicodeWriter_Dealloc(_PyUnicodeWriter *writer); + + +/* Format the object based on the format_spec, as defined in PEP 3101 + (Advanced String Formatting). */ +PyAPI_FUNC(int) _PyUnicode_FormatAdvancedWriter( + _PyUnicodeWriter *writer, + PyObject *obj, + PyObject *format_spec, + Py_ssize_t start, + Py_ssize_t end); + +/* --- wchar_t support for platforms which support it --------------------- */ + +#ifdef HAVE_WCHAR_H +PyAPI_FUNC(void*) _PyUnicode_AsKind(PyObject *s, unsigned int kind); +#endif + +/* --- Manage the default encoding ---------------------------------------- */ + +/* Returns a pointer to the default encoding (UTF-8) of the + Unicode object unicode and the size of the encoded representation + in bytes stored in *size. + + In case of an error, no *size is set. + + This function caches the UTF-8 encoded string in the unicodeobject + and subsequent calls will return the same string. The memory is released + when the unicodeobject is deallocated. + + _PyUnicode_AsStringAndSize is a #define for PyUnicode_AsUTF8AndSize to + support the previous internal function with the same behaviour. + + *** This API is for interpreter INTERNAL USE ONLY and will likely + *** be removed or changed in the future. + + *** If you need to access the Unicode object as UTF-8 bytes string, + *** please use PyUnicode_AsUTF8String() instead. +*/ + +PyAPI_FUNC(const char *) PyUnicode_AsUTF8AndSize( + PyObject *unicode, + Py_ssize_t *size); + +#define _PyUnicode_AsStringAndSize PyUnicode_AsUTF8AndSize + +/* Returns a pointer to the default encoding (UTF-8) of the + Unicode object unicode. + + Like PyUnicode_AsUTF8AndSize(), this also caches the UTF-8 representation + in the unicodeobject. + + _PyUnicode_AsString is a #define for PyUnicode_AsUTF8 to + support the previous internal function with the same behaviour. + + Use of this API is DEPRECATED since no size information can be + extracted from the returned data. + + *** This API is for interpreter INTERNAL USE ONLY and will likely + *** be removed or changed for Python 3.1. + + *** If you need to access the Unicode object as UTF-8 bytes string, + *** please use PyUnicode_AsUTF8String() instead. + +*/ + +PyAPI_FUNC(const char *) PyUnicode_AsUTF8(PyObject *unicode); + +#define _PyUnicode_AsString PyUnicode_AsUTF8 + +/* --- Generic Codecs ----------------------------------------------------- */ + +/* Encodes a Py_UNICODE buffer of the given size and returns a + Python string object. */ +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_Encode( + const Py_UNICODE *s, /* Unicode char buffer */ + Py_ssize_t size, /* number of Py_UNICODE chars to encode */ + const char *encoding, /* encoding */ + const char *errors /* error handling */ + ); + +/* --- UTF-7 Codecs ------------------------------------------------------- */ + +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeUTF7( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length, /* number of Py_UNICODE chars to encode */ + int base64SetO, /* Encode RFC2152 Set O characters in base64 */ + int base64WhiteSpace, /* Encode whitespace (sp, ht, nl, cr) in base64 */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) _PyUnicode_EncodeUTF7( + PyObject *unicode, /* Unicode object */ + int base64SetO, /* Encode RFC2152 Set O characters in base64 */ + int base64WhiteSpace, /* Encode whitespace (sp, ht, nl, cr) in base64 */ + const char *errors /* error handling */ + ); + +/* --- UTF-8 Codecs ------------------------------------------------------- */ + +PyAPI_FUNC(PyObject*) _PyUnicode_AsUTF8String( + PyObject *unicode, + const char *errors); + +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeUTF8( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length, /* number of Py_UNICODE chars to encode */ + const char *errors /* error handling */ + ); + +/* --- UTF-32 Codecs ------------------------------------------------------ */ + +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeUTF32( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length, /* number of Py_UNICODE chars to encode */ + const char *errors, /* error handling */ + int byteorder /* byteorder to use 0=BOM+native;-1=LE,1=BE */ + ); + +PyAPI_FUNC(PyObject*) _PyUnicode_EncodeUTF32( + PyObject *object, /* Unicode object */ + const char *errors, /* error handling */ + int byteorder /* byteorder to use 0=BOM+native;-1=LE,1=BE */ + ); + +/* --- UTF-16 Codecs ------------------------------------------------------ */ + +/* Returns a Python string object holding the UTF-16 encoded value of + the Unicode data. + + If byteorder is not 0, output is written according to the following + byte order: + + byteorder == -1: little endian + byteorder == 0: native byte order (writes a BOM mark) + byteorder == 1: big endian + + If byteorder is 0, the output string will always start with the + Unicode BOM mark (U+FEFF). In the other two modes, no BOM mark is + prepended. + + Note that Py_UNICODE data is being interpreted as UTF-16 reduced to + UCS-2. This trick makes it possible to add full UTF-16 capabilities + at a later point without compromising the APIs. + +*/ +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeUTF16( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length, /* number of Py_UNICODE chars to encode */ + const char *errors, /* error handling */ + int byteorder /* byteorder to use 0=BOM+native;-1=LE,1=BE */ + ); + +PyAPI_FUNC(PyObject*) _PyUnicode_EncodeUTF16( + PyObject* unicode, /* Unicode object */ + const char *errors, /* error handling */ + int byteorder /* byteorder to use 0=BOM+native;-1=LE,1=BE */ + ); + +/* --- Unicode-Escape Codecs ---------------------------------------------- */ + +/* Helper for PyUnicode_DecodeUnicodeEscape that detects invalid escape + chars. */ +PyAPI_FUNC(PyObject*) _PyUnicode_DecodeUnicodeEscape( + const char *string, /* Unicode-Escape encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors, /* error handling */ + const char **first_invalid_escape /* on return, points to first + invalid escaped char in + string. */ +); + +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeUnicodeEscape( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length /* Number of Py_UNICODE chars to encode */ + ); + +/* --- Raw-Unicode-Escape Codecs ------------------------------------------ */ + +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeRawUnicodeEscape( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length /* Number of Py_UNICODE chars to encode */ + ); + +/* --- Latin-1 Codecs ----------------------------------------------------- */ + +PyAPI_FUNC(PyObject*) _PyUnicode_AsLatin1String( + PyObject* unicode, + const char* errors); + +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeLatin1( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length, /* Number of Py_UNICODE chars to encode */ + const char *errors /* error handling */ + ); + +/* --- ASCII Codecs ------------------------------------------------------- */ + +PyAPI_FUNC(PyObject*) _PyUnicode_AsASCIIString( + PyObject* unicode, + const char* errors); + +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeASCII( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length, /* Number of Py_UNICODE chars to encode */ + const char *errors /* error handling */ + ); + +/* --- Character Map Codecs ----------------------------------------------- */ + +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeCharmap( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length, /* Number of Py_UNICODE chars to encode */ + PyObject *mapping, /* encoding mapping */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) _PyUnicode_EncodeCharmap( + PyObject *unicode, /* Unicode object */ + PyObject *mapping, /* encoding mapping */ + const char *errors /* error handling */ + ); + +/* Translate a Py_UNICODE buffer of the given length by applying a + character mapping table to it and return the resulting Unicode + object. + + The mapping table must map Unicode ordinal integers to Unicode strings, + Unicode ordinal integers or None (causing deletion of the character). + + Mapping tables may be dictionaries or sequences. Unmapped character + ordinals (ones which cause a LookupError) are left untouched and + are copied as-is. + +*/ +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject *) PyUnicode_TranslateCharmap( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length, /* Number of Py_UNICODE chars to encode */ + PyObject *table, /* Translate table */ + const char *errors /* error handling */ + ); + +/* --- MBCS codecs for Windows -------------------------------------------- */ + +#ifdef MS_WINDOWS +Py_DEPRECATED(3.3) PyAPI_FUNC(PyObject*) PyUnicode_EncodeMBCS( + const Py_UNICODE *data, /* Unicode char buffer */ + Py_ssize_t length, /* number of Py_UNICODE chars to encode */ + const char *errors /* error handling */ + ); +#endif + +/* --- Decimal Encoder ---------------------------------------------------- */ + +/* Takes a Unicode string holding a decimal value and writes it into + an output buffer using standard ASCII digit codes. + + The output buffer has to provide at least length+1 bytes of storage + area. The output string is 0-terminated. + + The encoder converts whitespace to ' ', decimal characters to their + corresponding ASCII digit and all other Latin-1 characters except + \0 as-is. Characters outside this range (Unicode ordinals 1-256) + are treated as errors. This includes embedded NULL bytes. + + Error handling is defined by the errors argument: + + NULL or "strict": raise a ValueError + "ignore": ignore the wrong characters (these are not copied to the + output buffer) + "replace": replaces illegal characters with '?' + + Returns 0 on success, -1 on failure. + +*/ + +/* Py_DEPRECATED(3.3) */ PyAPI_FUNC(int) PyUnicode_EncodeDecimal( + Py_UNICODE *s, /* Unicode buffer */ + Py_ssize_t length, /* Number of Py_UNICODE chars to encode */ + char *output, /* Output buffer; must have size >= length */ + const char *errors /* error handling */ + ); + +/* Transforms code points that have decimal digit property to the + corresponding ASCII digit code points. + + Returns a new Unicode string on success, NULL on failure. +*/ + +/* Py_DEPRECATED(3.3) */ +PyAPI_FUNC(PyObject*) PyUnicode_TransformDecimalToASCII( + Py_UNICODE *s, /* Unicode buffer */ + Py_ssize_t length /* Number of Py_UNICODE chars to transform */ + ); + +/* Coverts a Unicode object holding a decimal value to an ASCII string + for using in int, float and complex parsers. + Transforms code points that have decimal digit property to the + corresponding ASCII digit code points. Transforms spaces to ASCII. + Transforms code points starting from the first non-ASCII code point that + is neither a decimal digit nor a space to the end into '?'. */ + +PyAPI_FUNC(PyObject*) _PyUnicode_TransformDecimalAndSpaceToASCII( + PyObject *unicode /* Unicode object */ + ); + +/* --- Methods & Slots ---------------------------------------------------- */ + +PyAPI_FUNC(PyObject *) _PyUnicode_JoinArray( + PyObject *separator, + PyObject *const *items, + Py_ssize_t seqlen + ); + +/* Test whether a unicode is equal to ASCII identifier. Return 1 if true, + 0 otherwise. The right argument must be ASCII identifier. + Any error occurs inside will be cleared before return. */ +PyAPI_FUNC(int) _PyUnicode_EqualToASCIIId( + PyObject *left, /* Left string */ + _Py_Identifier *right /* Right identifier */ + ); + +/* Test whether a unicode is equal to ASCII string. Return 1 if true, + 0 otherwise. The right argument must be ASCII-encoded string. + Any error occurs inside will be cleared before return. */ +PyAPI_FUNC(int) _PyUnicode_EqualToASCIIString( + PyObject *left, + const char *right /* ASCII-encoded string */ + ); + +/* Externally visible for str.strip(unicode) */ +PyAPI_FUNC(PyObject *) _PyUnicode_XStrip( + PyObject *self, + int striptype, + PyObject *sepobj + ); + +/* Using explicit passed-in values, insert the thousands grouping + into the string pointed to by buffer. For the argument descriptions, + see Objects/stringlib/localeutil.h */ +PyAPI_FUNC(Py_ssize_t) _PyUnicode_InsertThousandsGrouping( + _PyUnicodeWriter *writer, + Py_ssize_t n_buffer, + PyObject *digits, + Py_ssize_t d_pos, + Py_ssize_t n_digits, + Py_ssize_t min_width, + const char *grouping, + PyObject *thousands_sep, + Py_UCS4 *maxchar); + +/* === Characters Type APIs =============================================== */ + +/* Helper array used by Py_UNICODE_ISSPACE(). */ + +PyAPI_DATA(const unsigned char) _Py_ascii_whitespace[]; + +/* These should not be used directly. Use the Py_UNICODE_IS* and + Py_UNICODE_TO* macros instead. + + These APIs are implemented in Objects/unicodectype.c. + +*/ + +PyAPI_FUNC(int) _PyUnicode_IsLowercase( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsUppercase( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsTitlecase( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsXidStart( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsXidContinue( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsWhitespace( + const Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsLinebreak( + const Py_UCS4 ch /* Unicode character */ + ); + +/* Py_DEPRECATED(3.3) */ PyAPI_FUNC(Py_UCS4) _PyUnicode_ToLowercase( + Py_UCS4 ch /* Unicode character */ + ); + +/* Py_DEPRECATED(3.3) */ PyAPI_FUNC(Py_UCS4) _PyUnicode_ToUppercase( + Py_UCS4 ch /* Unicode character */ + ); + +Py_DEPRECATED(3.3) PyAPI_FUNC(Py_UCS4) _PyUnicode_ToTitlecase( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_ToLowerFull( + Py_UCS4 ch, /* Unicode character */ + Py_UCS4 *res + ); + +PyAPI_FUNC(int) _PyUnicode_ToTitleFull( + Py_UCS4 ch, /* Unicode character */ + Py_UCS4 *res + ); + +PyAPI_FUNC(int) _PyUnicode_ToUpperFull( + Py_UCS4 ch, /* Unicode character */ + Py_UCS4 *res + ); + +PyAPI_FUNC(int) _PyUnicode_ToFoldedFull( + Py_UCS4 ch, /* Unicode character */ + Py_UCS4 *res + ); + +PyAPI_FUNC(int) _PyUnicode_IsCaseIgnorable( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsCased( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_ToDecimalDigit( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_ToDigit( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(double) _PyUnicode_ToNumeric( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsDecimalDigit( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsDigit( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsNumeric( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsPrintable( + Py_UCS4 ch /* Unicode character */ + ); + +PyAPI_FUNC(int) _PyUnicode_IsAlpha( + Py_UCS4 ch /* Unicode character */ + ); + +Py_DEPRECATED(3.3) PyAPI_FUNC(size_t) Py_UNICODE_strlen( + const Py_UNICODE *u + ); + +Py_DEPRECATED(3.3) PyAPI_FUNC(Py_UNICODE*) Py_UNICODE_strcpy( + Py_UNICODE *s1, + const Py_UNICODE *s2); + +Py_DEPRECATED(3.3) PyAPI_FUNC(Py_UNICODE*) Py_UNICODE_strcat( + Py_UNICODE *s1, const Py_UNICODE *s2); + +Py_DEPRECATED(3.3) PyAPI_FUNC(Py_UNICODE*) Py_UNICODE_strncpy( + Py_UNICODE *s1, + const Py_UNICODE *s2, + size_t n); + +Py_DEPRECATED(3.3) PyAPI_FUNC(int) Py_UNICODE_strcmp( + const Py_UNICODE *s1, + const Py_UNICODE *s2 + ); + +Py_DEPRECATED(3.3) PyAPI_FUNC(int) Py_UNICODE_strncmp( + const Py_UNICODE *s1, + const Py_UNICODE *s2, + size_t n + ); + +Py_DEPRECATED(3.3) PyAPI_FUNC(Py_UNICODE*) Py_UNICODE_strchr( + const Py_UNICODE *s, + Py_UNICODE c + ); + +Py_DEPRECATED(3.3) PyAPI_FUNC(Py_UNICODE*) Py_UNICODE_strrchr( + const Py_UNICODE *s, + Py_UNICODE c + ); + +PyAPI_FUNC(PyObject*) _PyUnicode_FormatLong(PyObject *, int, int, int); + +/* Create a copy of a unicode string ending with a nul character. Return NULL + and raise a MemoryError exception on memory allocation failure, otherwise + return a new allocated buffer (use PyMem_Free() to free the buffer). */ + +Py_DEPRECATED(3.3) PyAPI_FUNC(Py_UNICODE*) PyUnicode_AsUnicodeCopy( + PyObject *unicode + ); + +/* Return an interned Unicode object for an Identifier; may fail if there is no memory.*/ +PyAPI_FUNC(PyObject*) _PyUnicode_FromId(_Py_Identifier*); +/* Clear all static strings. */ +PyAPI_FUNC(void) _PyUnicode_ClearStaticStrings(void); + +/* Fast equality check when the inputs are known to be exact unicode types + and where the hash values are equal (i.e. a very probable match) */ +PyAPI_FUNC(int) _PyUnicode_EQ(PyObject *, PyObject *); + +#ifdef __cplusplus +} +#endif diff --git a/python-headers-win/Include/datetime.h b/python-headers-win/Include/datetime.h new file mode 100644 index 000000000..00507cb85 --- /dev/null +++ b/python-headers-win/Include/datetime.h @@ -0,0 +1,259 @@ +/* datetime.h + */ +#ifndef Py_LIMITED_API +#ifndef DATETIME_H +#define DATETIME_H +#ifdef __cplusplus +extern "C" { +#endif + +/* Fields are packed into successive bytes, each viewed as unsigned and + * big-endian, unless otherwise noted: + * + * byte offset + * 0 year 2 bytes, 1-9999 + * 2 month 1 byte, 1-12 + * 3 day 1 byte, 1-31 + * 4 hour 1 byte, 0-23 + * 5 minute 1 byte, 0-59 + * 6 second 1 byte, 0-59 + * 7 usecond 3 bytes, 0-999999 + * 10 + */ + +/* # of bytes for year, month, and day. */ +#define _PyDateTime_DATE_DATASIZE 4 + +/* # of bytes for hour, minute, second, and usecond. */ +#define _PyDateTime_TIME_DATASIZE 6 + +/* # of bytes for year, month, day, hour, minute, second, and usecond. */ +#define _PyDateTime_DATETIME_DATASIZE 10 + + +typedef struct +{ + PyObject_HEAD + Py_hash_t hashcode; /* -1 when unknown */ + int days; /* -MAX_DELTA_DAYS <= days <= MAX_DELTA_DAYS */ + int seconds; /* 0 <= seconds < 24*3600 is invariant */ + int microseconds; /* 0 <= microseconds < 1000000 is invariant */ +} PyDateTime_Delta; + +typedef struct +{ + PyObject_HEAD /* a pure abstract base class */ +} PyDateTime_TZInfo; + + +/* The datetime and time types have hashcodes, and an optional tzinfo member, + * present if and only if hastzinfo is true. + */ +#define _PyTZINFO_HEAD \ + PyObject_HEAD \ + Py_hash_t hashcode; \ + char hastzinfo; /* boolean flag */ + +/* No _PyDateTime_BaseTZInfo is allocated; it's just to have something + * convenient to cast to, when getting at the hastzinfo member of objects + * starting with _PyTZINFO_HEAD. + */ +typedef struct +{ + _PyTZINFO_HEAD +} _PyDateTime_BaseTZInfo; + +/* All time objects are of PyDateTime_TimeType, but that can be allocated + * in two ways, with or without a tzinfo member. Without is the same as + * tzinfo == None, but consumes less memory. _PyDateTime_BaseTime is an + * internal struct used to allocate the right amount of space for the + * "without" case. + */ +#define _PyDateTime_TIMEHEAD \ + _PyTZINFO_HEAD \ + unsigned char data[_PyDateTime_TIME_DATASIZE]; + +typedef struct +{ + _PyDateTime_TIMEHEAD +} _PyDateTime_BaseTime; /* hastzinfo false */ + +typedef struct +{ + _PyDateTime_TIMEHEAD + unsigned char fold; + PyObject *tzinfo; +} PyDateTime_Time; /* hastzinfo true */ + + +/* All datetime objects are of PyDateTime_DateTimeType, but that can be + * allocated in two ways too, just like for time objects above. In addition, + * the plain date type is a base class for datetime, so it must also have + * a hastzinfo member (although it's unused there). + */ +typedef struct +{ + _PyTZINFO_HEAD + unsigned char data[_PyDateTime_DATE_DATASIZE]; +} PyDateTime_Date; + +#define _PyDateTime_DATETIMEHEAD \ + _PyTZINFO_HEAD \ + unsigned char data[_PyDateTime_DATETIME_DATASIZE]; + +typedef struct +{ + _PyDateTime_DATETIMEHEAD +} _PyDateTime_BaseDateTime; /* hastzinfo false */ + +typedef struct +{ + _PyDateTime_DATETIMEHEAD + unsigned char fold; + PyObject *tzinfo; +} PyDateTime_DateTime; /* hastzinfo true */ + + +/* Apply for date and datetime instances. */ +#define PyDateTime_GET_YEAR(o) ((((PyDateTime_Date*)o)->data[0] << 8) | \ + ((PyDateTime_Date*)o)->data[1]) +#define PyDateTime_GET_MONTH(o) (((PyDateTime_Date*)o)->data[2]) +#define PyDateTime_GET_DAY(o) (((PyDateTime_Date*)o)->data[3]) + +#define PyDateTime_DATE_GET_HOUR(o) (((PyDateTime_DateTime*)o)->data[4]) +#define PyDateTime_DATE_GET_MINUTE(o) (((PyDateTime_DateTime*)o)->data[5]) +#define PyDateTime_DATE_GET_SECOND(o) (((PyDateTime_DateTime*)o)->data[6]) +#define PyDateTime_DATE_GET_MICROSECOND(o) \ + ((((PyDateTime_DateTime*)o)->data[7] << 16) | \ + (((PyDateTime_DateTime*)o)->data[8] << 8) | \ + ((PyDateTime_DateTime*)o)->data[9]) +#define PyDateTime_DATE_GET_FOLD(o) (((PyDateTime_DateTime*)o)->fold) + +/* Apply for time instances. */ +#define PyDateTime_TIME_GET_HOUR(o) (((PyDateTime_Time*)o)->data[0]) +#define PyDateTime_TIME_GET_MINUTE(o) (((PyDateTime_Time*)o)->data[1]) +#define PyDateTime_TIME_GET_SECOND(o) (((PyDateTime_Time*)o)->data[2]) +#define PyDateTime_TIME_GET_MICROSECOND(o) \ + ((((PyDateTime_Time*)o)->data[3] << 16) | \ + (((PyDateTime_Time*)o)->data[4] << 8) | \ + ((PyDateTime_Time*)o)->data[5]) +#define PyDateTime_TIME_GET_FOLD(o) (((PyDateTime_Time*)o)->fold) + +/* Apply for time delta instances */ +#define PyDateTime_DELTA_GET_DAYS(o) (((PyDateTime_Delta*)o)->days) +#define PyDateTime_DELTA_GET_SECONDS(o) (((PyDateTime_Delta*)o)->seconds) +#define PyDateTime_DELTA_GET_MICROSECONDS(o) \ + (((PyDateTime_Delta*)o)->microseconds) + + +/* Define structure for C API. */ +typedef struct { + /* type objects */ + PyTypeObject *DateType; + PyTypeObject *DateTimeType; + PyTypeObject *TimeType; + PyTypeObject *DeltaType; + PyTypeObject *TZInfoType; + + /* singletons */ + PyObject *TimeZone_UTC; + + /* constructors */ + PyObject *(*Date_FromDate)(int, int, int, PyTypeObject*); + PyObject *(*DateTime_FromDateAndTime)(int, int, int, int, int, int, int, + PyObject*, PyTypeObject*); + PyObject *(*Time_FromTime)(int, int, int, int, PyObject*, PyTypeObject*); + PyObject *(*Delta_FromDelta)(int, int, int, int, PyTypeObject*); + PyObject *(*TimeZone_FromTimeZone)(PyObject *offset, PyObject *name); + + /* constructors for the DB API */ + PyObject *(*DateTime_FromTimestamp)(PyObject*, PyObject*, PyObject*); + PyObject *(*Date_FromTimestamp)(PyObject*, PyObject*); + + /* PEP 495 constructors */ + PyObject *(*DateTime_FromDateAndTimeAndFold)(int, int, int, int, int, int, int, + PyObject*, int, PyTypeObject*); + PyObject *(*Time_FromTimeAndFold)(int, int, int, int, PyObject*, int, PyTypeObject*); + +} PyDateTime_CAPI; + +#define PyDateTime_CAPSULE_NAME "datetime.datetime_CAPI" + + +/* This block is only used as part of the public API and should not be + * included in _datetimemodule.c, which does not use the C API capsule. + * See bpo-35081 for more details. + * */ +#ifndef _PY_DATETIME_IMPL +/* Define global variable for the C API and a macro for setting it. */ +static PyDateTime_CAPI *PyDateTimeAPI = NULL; + +#define PyDateTime_IMPORT \ + PyDateTimeAPI = (PyDateTime_CAPI *)PyCapsule_Import(PyDateTime_CAPSULE_NAME, 0) + +/* Macro for access to the UTC singleton */ +#define PyDateTime_TimeZone_UTC PyDateTimeAPI->TimeZone_UTC + +/* Macros for type checking when not building the Python core. */ +#define PyDate_Check(op) PyObject_TypeCheck(op, PyDateTimeAPI->DateType) +#define PyDate_CheckExact(op) (Py_TYPE(op) == PyDateTimeAPI->DateType) + +#define PyDateTime_Check(op) PyObject_TypeCheck(op, PyDateTimeAPI->DateTimeType) +#define PyDateTime_CheckExact(op) (Py_TYPE(op) == PyDateTimeAPI->DateTimeType) + +#define PyTime_Check(op) PyObject_TypeCheck(op, PyDateTimeAPI->TimeType) +#define PyTime_CheckExact(op) (Py_TYPE(op) == PyDateTimeAPI->TimeType) + +#define PyDelta_Check(op) PyObject_TypeCheck(op, PyDateTimeAPI->DeltaType) +#define PyDelta_CheckExact(op) (Py_TYPE(op) == PyDateTimeAPI->DeltaType) + +#define PyTZInfo_Check(op) PyObject_TypeCheck(op, PyDateTimeAPI->TZInfoType) +#define PyTZInfo_CheckExact(op) (Py_TYPE(op) == PyDateTimeAPI->TZInfoType) + + +/* Macros for accessing constructors in a simplified fashion. */ +#define PyDate_FromDate(year, month, day) \ + PyDateTimeAPI->Date_FromDate(year, month, day, PyDateTimeAPI->DateType) + +#define PyDateTime_FromDateAndTime(year, month, day, hour, min, sec, usec) \ + PyDateTimeAPI->DateTime_FromDateAndTime(year, month, day, hour, \ + min, sec, usec, Py_None, PyDateTimeAPI->DateTimeType) + +#define PyDateTime_FromDateAndTimeAndFold(year, month, day, hour, min, sec, usec, fold) \ + PyDateTimeAPI->DateTime_FromDateAndTimeAndFold(year, month, day, hour, \ + min, sec, usec, Py_None, fold, PyDateTimeAPI->DateTimeType) + +#define PyTime_FromTime(hour, minute, second, usecond) \ + PyDateTimeAPI->Time_FromTime(hour, minute, second, usecond, \ + Py_None, PyDateTimeAPI->TimeType) + +#define PyTime_FromTimeAndFold(hour, minute, second, usecond, fold) \ + PyDateTimeAPI->Time_FromTimeAndFold(hour, minute, second, usecond, \ + Py_None, fold, PyDateTimeAPI->TimeType) + +#define PyDelta_FromDSU(days, seconds, useconds) \ + PyDateTimeAPI->Delta_FromDelta(days, seconds, useconds, 1, \ + PyDateTimeAPI->DeltaType) + +#define PyTimeZone_FromOffset(offset) \ + PyDateTimeAPI->TimeZone_FromTimeZone(offset, NULL) + +#define PyTimeZone_FromOffsetAndName(offset, name) \ + PyDateTimeAPI->TimeZone_FromTimeZone(offset, name) + +/* Macros supporting the DB API. */ +#define PyDateTime_FromTimestamp(args) \ + PyDateTimeAPI->DateTime_FromTimestamp( \ + (PyObject*) (PyDateTimeAPI->DateTimeType), args, NULL) + +#define PyDate_FromTimestamp(args) \ + PyDateTimeAPI->Date_FromTimestamp( \ + (PyObject*) (PyDateTimeAPI->DateType), args) + +#endif /* !defined(_PY_DATETIME_IMPL) */ + +#ifdef __cplusplus +} +#endif +#endif +#endif /* !Py_LIMITED_API */ diff --git a/python-headers-win/Include/descrobject.h b/python-headers-win/Include/descrobject.h new file mode 100644 index 000000000..ead269d1d --- /dev/null +++ b/python-headers-win/Include/descrobject.h @@ -0,0 +1,108 @@ +/* Descriptors */ +#ifndef Py_DESCROBJECT_H +#define Py_DESCROBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +typedef PyObject *(*getter)(PyObject *, void *); +typedef int (*setter)(PyObject *, PyObject *, void *); + +typedef struct PyGetSetDef { + const char *name; + getter get; + setter set; + const char *doc; + void *closure; +} PyGetSetDef; + +#ifndef Py_LIMITED_API +typedef PyObject *(*wrapperfunc)(PyObject *self, PyObject *args, + void *wrapped); + +typedef PyObject *(*wrapperfunc_kwds)(PyObject *self, PyObject *args, + void *wrapped, PyObject *kwds); + +struct wrapperbase { + const char *name; + int offset; + void *function; + wrapperfunc wrapper; + const char *doc; + int flags; + PyObject *name_strobj; +}; + +/* Flags for above struct */ +#define PyWrapperFlag_KEYWORDS 1 /* wrapper function takes keyword args */ + +/* Various kinds of descriptor objects */ + +typedef struct { + PyObject_HEAD + PyTypeObject *d_type; + PyObject *d_name; + PyObject *d_qualname; +} PyDescrObject; + +#define PyDescr_COMMON PyDescrObject d_common + +#define PyDescr_TYPE(x) (((PyDescrObject *)(x))->d_type) +#define PyDescr_NAME(x) (((PyDescrObject *)(x))->d_name) + +typedef struct { + PyDescr_COMMON; + PyMethodDef *d_method; + vectorcallfunc vectorcall; +} PyMethodDescrObject; + +typedef struct { + PyDescr_COMMON; + struct PyMemberDef *d_member; +} PyMemberDescrObject; + +typedef struct { + PyDescr_COMMON; + PyGetSetDef *d_getset; +} PyGetSetDescrObject; + +typedef struct { + PyDescr_COMMON; + struct wrapperbase *d_base; + void *d_wrapped; /* This can be any function pointer */ +} PyWrapperDescrObject; +#endif /* Py_LIMITED_API */ + +PyAPI_DATA(PyTypeObject) PyClassMethodDescr_Type; +PyAPI_DATA(PyTypeObject) PyGetSetDescr_Type; +PyAPI_DATA(PyTypeObject) PyMemberDescr_Type; +PyAPI_DATA(PyTypeObject) PyMethodDescr_Type; +PyAPI_DATA(PyTypeObject) PyWrapperDescr_Type; +PyAPI_DATA(PyTypeObject) PyDictProxy_Type; +#ifndef Py_LIMITED_API +PyAPI_DATA(PyTypeObject) _PyMethodWrapper_Type; +#endif /* Py_LIMITED_API */ + +PyAPI_FUNC(PyObject *) PyDescr_NewMethod(PyTypeObject *, PyMethodDef *); +PyAPI_FUNC(PyObject *) PyDescr_NewClassMethod(PyTypeObject *, PyMethodDef *); +struct PyMemberDef; /* forward declaration for following prototype */ +PyAPI_FUNC(PyObject *) PyDescr_NewMember(PyTypeObject *, + struct PyMemberDef *); +PyAPI_FUNC(PyObject *) PyDescr_NewGetSet(PyTypeObject *, + struct PyGetSetDef *); +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) PyDescr_NewWrapper(PyTypeObject *, + struct wrapperbase *, void *); +#define PyDescr_IsData(d) (Py_TYPE(d)->tp_descr_set != NULL) +#endif + +PyAPI_FUNC(PyObject *) PyDictProxy_New(PyObject *); +PyAPI_FUNC(PyObject *) PyWrapper_New(PyObject *, PyObject *); + + +PyAPI_DATA(PyTypeObject) PyProperty_Type; +#ifdef __cplusplus +} +#endif +#endif /* !Py_DESCROBJECT_H */ + diff --git a/python-headers-win/Include/dictobject.h b/python-headers-win/Include/dictobject.h new file mode 100644 index 000000000..b37573ad4 --- /dev/null +++ b/python-headers-win/Include/dictobject.h @@ -0,0 +1,94 @@ +#ifndef Py_DICTOBJECT_H +#define Py_DICTOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +/* Dictionary object type -- mapping from hashable object to object */ + +/* The distribution includes a separate file, Objects/dictnotes.txt, + describing explorations into dictionary design and optimization. + It covers typical dictionary use patterns, the parameters for + tuning dictionaries, and several ideas for possible optimizations. +*/ + +PyAPI_DATA(PyTypeObject) PyDict_Type; + +#define PyDict_Check(op) \ + PyType_FastSubclass(Py_TYPE(op), Py_TPFLAGS_DICT_SUBCLASS) +#define PyDict_CheckExact(op) (Py_TYPE(op) == &PyDict_Type) + +PyAPI_FUNC(PyObject *) PyDict_New(void); +PyAPI_FUNC(PyObject *) PyDict_GetItem(PyObject *mp, PyObject *key); +PyAPI_FUNC(PyObject *) PyDict_GetItemWithError(PyObject *mp, PyObject *key); +PyAPI_FUNC(int) PyDict_SetItem(PyObject *mp, PyObject *key, PyObject *item); +PyAPI_FUNC(int) PyDict_DelItem(PyObject *mp, PyObject *key); +PyAPI_FUNC(void) PyDict_Clear(PyObject *mp); +PyAPI_FUNC(int) PyDict_Next( + PyObject *mp, Py_ssize_t *pos, PyObject **key, PyObject **value); +PyAPI_FUNC(PyObject *) PyDict_Keys(PyObject *mp); +PyAPI_FUNC(PyObject *) PyDict_Values(PyObject *mp); +PyAPI_FUNC(PyObject *) PyDict_Items(PyObject *mp); +PyAPI_FUNC(Py_ssize_t) PyDict_Size(PyObject *mp); +PyAPI_FUNC(PyObject *) PyDict_Copy(PyObject *mp); +PyAPI_FUNC(int) PyDict_Contains(PyObject *mp, PyObject *key); + +/* PyDict_Update(mp, other) is equivalent to PyDict_Merge(mp, other, 1). */ +PyAPI_FUNC(int) PyDict_Update(PyObject *mp, PyObject *other); + +/* PyDict_Merge updates/merges from a mapping object (an object that + supports PyMapping_Keys() and PyObject_GetItem()). If override is true, + the last occurrence of a key wins, else the first. The Python + dict.update(other) is equivalent to PyDict_Merge(dict, other, 1). +*/ +PyAPI_FUNC(int) PyDict_Merge(PyObject *mp, + PyObject *other, + int override); + +/* PyDict_MergeFromSeq2 updates/merges from an iterable object producing + iterable objects of length 2. If override is true, the last occurrence + of a key wins, else the first. The Python dict constructor dict(seq2) + is equivalent to dict={}; PyDict_MergeFromSeq(dict, seq2, 1). +*/ +PyAPI_FUNC(int) PyDict_MergeFromSeq2(PyObject *d, + PyObject *seq2, + int override); + +PyAPI_FUNC(PyObject *) PyDict_GetItemString(PyObject *dp, const char *key); +PyAPI_FUNC(int) PyDict_SetItemString(PyObject *dp, const char *key, PyObject *item); +PyAPI_FUNC(int) PyDict_DelItemString(PyObject *dp, const char *key); + +/* Dictionary (keys, values, items) views */ + +PyAPI_DATA(PyTypeObject) PyDictKeys_Type; +PyAPI_DATA(PyTypeObject) PyDictValues_Type; +PyAPI_DATA(PyTypeObject) PyDictItems_Type; + +#define PyDictKeys_Check(op) PyObject_TypeCheck(op, &PyDictKeys_Type) +#define PyDictValues_Check(op) PyObject_TypeCheck(op, &PyDictValues_Type) +#define PyDictItems_Check(op) PyObject_TypeCheck(op, &PyDictItems_Type) +/* This excludes Values, since they are not sets. */ +# define PyDictViewSet_Check(op) \ + (PyDictKeys_Check(op) || PyDictItems_Check(op)) + +/* Dictionary (key, value, items) iterators */ + +PyAPI_DATA(PyTypeObject) PyDictIterKey_Type; +PyAPI_DATA(PyTypeObject) PyDictIterValue_Type; +PyAPI_DATA(PyTypeObject) PyDictIterItem_Type; + +PyAPI_DATA(PyTypeObject) PyDictRevIterKey_Type; +PyAPI_DATA(PyTypeObject) PyDictRevIterItem_Type; +PyAPI_DATA(PyTypeObject) PyDictRevIterValue_Type; + + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_DICTOBJECT_H +# include "cpython/dictobject.h" +# undef Py_CPYTHON_DICTOBJECT_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_DICTOBJECT_H */ diff --git a/python-headers-win/Include/dtoa.h b/python-headers-win/Include/dtoa.h new file mode 100644 index 000000000..9bfb6251d --- /dev/null +++ b/python-headers-win/Include/dtoa.h @@ -0,0 +1,19 @@ +#ifndef Py_LIMITED_API +#ifndef PY_NO_SHORT_FLOAT_REPR +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_FUNC(double) _Py_dg_strtod(const char *str, char **ptr); +PyAPI_FUNC(char *) _Py_dg_dtoa(double d, int mode, int ndigits, + int *decpt, int *sign, char **rve); +PyAPI_FUNC(void) _Py_dg_freedtoa(char *s); +PyAPI_FUNC(double) _Py_dg_stdnan(int sign); +PyAPI_FUNC(double) _Py_dg_infinity(int sign); + + +#ifdef __cplusplus +} +#endif +#endif +#endif diff --git a/python-headers-win/Include/dynamic_annotations.h b/python-headers-win/Include/dynamic_annotations.h new file mode 100644 index 000000000..0bd1a833c --- /dev/null +++ b/python-headers-win/Include/dynamic_annotations.h @@ -0,0 +1,499 @@ +/* Copyright (c) 2008-2009, Google Inc. + * All rights reserved. + * + * Redistribution and use in source and binary forms, with or without + * modification, are permitted provided that the following conditions are + * met: + * + * * Redistributions of source code must retain the above copyright + * notice, this list of conditions and the following disclaimer. + * * Neither the name of Google Inc. nor the names of its + * contributors may be used to endorse or promote products derived from + * this software without specific prior written permission. + * + * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS + * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT + * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR + * A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT + * OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, + * SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT + * LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, + * DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY + * THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT + * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE + * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. + * + * --- + * Author: Kostya Serebryany + * Copied to CPython by Jeffrey Yasskin, with all macros renamed to + * start with _Py_ to avoid colliding with users embedding Python, and + * with deprecated macros removed. + */ + +/* This file defines dynamic annotations for use with dynamic analysis + tool such as valgrind, PIN, etc. + + Dynamic annotation is a source code annotation that affects + the generated code (that is, the annotation is not a comment). + Each such annotation is attached to a particular + instruction and/or to a particular object (address) in the program. + + The annotations that should be used by users are macros in all upper-case + (e.g., _Py_ANNOTATE_NEW_MEMORY). + + Actual implementation of these macros may differ depending on the + dynamic analysis tool being used. + + See http://code.google.com/p/data-race-test/ for more information. + + This file supports the following dynamic analysis tools: + - None (DYNAMIC_ANNOTATIONS_ENABLED is not defined or zero). + Macros are defined empty. + - ThreadSanitizer, Helgrind, DRD (DYNAMIC_ANNOTATIONS_ENABLED is 1). + Macros are defined as calls to non-inlinable empty functions + that are intercepted by Valgrind. */ + +#ifndef __DYNAMIC_ANNOTATIONS_H__ +#define __DYNAMIC_ANNOTATIONS_H__ + +#ifndef DYNAMIC_ANNOTATIONS_ENABLED +# define DYNAMIC_ANNOTATIONS_ENABLED 0 +#endif + +#if DYNAMIC_ANNOTATIONS_ENABLED != 0 + + /* ------------------------------------------------------------- + Annotations useful when implementing condition variables such as CondVar, + using conditional critical sections (Await/LockWhen) and when constructing + user-defined synchronization mechanisms. + + The annotations _Py_ANNOTATE_HAPPENS_BEFORE() and + _Py_ANNOTATE_HAPPENS_AFTER() can be used to define happens-before arcs in + user-defined synchronization mechanisms: the race detector will infer an + arc from the former to the latter when they share the same argument + pointer. + + Example 1 (reference counting): + + void Unref() { + _Py_ANNOTATE_HAPPENS_BEFORE(&refcount_); + if (AtomicDecrementByOne(&refcount_) == 0) { + _Py_ANNOTATE_HAPPENS_AFTER(&refcount_); + delete this; + } + } + + Example 2 (message queue): + + void MyQueue::Put(Type *e) { + MutexLock lock(&mu_); + _Py_ANNOTATE_HAPPENS_BEFORE(e); + PutElementIntoMyQueue(e); + } + + Type *MyQueue::Get() { + MutexLock lock(&mu_); + Type *e = GetElementFromMyQueue(); + _Py_ANNOTATE_HAPPENS_AFTER(e); + return e; + } + + Note: when possible, please use the existing reference counting and message + queue implementations instead of inventing new ones. */ + + /* Report that wait on the condition variable at address "cv" has succeeded + and the lock at address "lock" is held. */ +#define _Py_ANNOTATE_CONDVAR_LOCK_WAIT(cv, lock) \ + AnnotateCondVarWait(__FILE__, __LINE__, cv, lock) + + /* Report that wait on the condition variable at "cv" has succeeded. Variant + w/o lock. */ +#define _Py_ANNOTATE_CONDVAR_WAIT(cv) \ + AnnotateCondVarWait(__FILE__, __LINE__, cv, NULL) + + /* Report that we are about to signal on the condition variable at address + "cv". */ +#define _Py_ANNOTATE_CONDVAR_SIGNAL(cv) \ + AnnotateCondVarSignal(__FILE__, __LINE__, cv) + + /* Report that we are about to signal_all on the condition variable at "cv". */ +#define _Py_ANNOTATE_CONDVAR_SIGNAL_ALL(cv) \ + AnnotateCondVarSignalAll(__FILE__, __LINE__, cv) + + /* Annotations for user-defined synchronization mechanisms. */ +#define _Py_ANNOTATE_HAPPENS_BEFORE(obj) _Py_ANNOTATE_CONDVAR_SIGNAL(obj) +#define _Py_ANNOTATE_HAPPENS_AFTER(obj) _Py_ANNOTATE_CONDVAR_WAIT(obj) + + /* Report that the bytes in the range [pointer, pointer+size) are about + to be published safely. The race checker will create a happens-before + arc from the call _Py_ANNOTATE_PUBLISH_MEMORY_RANGE(pointer, size) to + subsequent accesses to this memory. + Note: this annotation may not work properly if the race detector uses + sampling, i.e. does not observe all memory accesses. + */ +#define _Py_ANNOTATE_PUBLISH_MEMORY_RANGE(pointer, size) \ + AnnotatePublishMemoryRange(__FILE__, __LINE__, pointer, size) + + /* Instruct the tool to create a happens-before arc between mu->Unlock() and + mu->Lock(). This annotation may slow down the race detector and hide real + races. Normally it is used only when it would be difficult to annotate each + of the mutex's critical sections individually using the annotations above. + This annotation makes sense only for hybrid race detectors. For pure + happens-before detectors this is a no-op. For more details see + http://code.google.com/p/data-race-test/wiki/PureHappensBeforeVsHybrid . */ +#define _Py_ANNOTATE_PURE_HAPPENS_BEFORE_MUTEX(mu) \ + AnnotateMutexIsUsedAsCondVar(__FILE__, __LINE__, mu) + + /* ------------------------------------------------------------- + Annotations useful when defining memory allocators, or when memory that + was protected in one way starts to be protected in another. */ + + /* Report that a new memory at "address" of size "size" has been allocated. + This might be used when the memory has been retrieved from a free list and + is about to be reused, or when the locking discipline for a variable + changes. */ +#define _Py_ANNOTATE_NEW_MEMORY(address, size) \ + AnnotateNewMemory(__FILE__, __LINE__, address, size) + + /* ------------------------------------------------------------- + Annotations useful when defining FIFO queues that transfer data between + threads. */ + + /* Report that the producer-consumer queue (such as ProducerConsumerQueue) at + address "pcq" has been created. The _Py_ANNOTATE_PCQ_* annotations should + be used only for FIFO queues. For non-FIFO queues use + _Py_ANNOTATE_HAPPENS_BEFORE (for put) and _Py_ANNOTATE_HAPPENS_AFTER (for + get). */ +#define _Py_ANNOTATE_PCQ_CREATE(pcq) \ + AnnotatePCQCreate(__FILE__, __LINE__, pcq) + + /* Report that the queue at address "pcq" is about to be destroyed. */ +#define _Py_ANNOTATE_PCQ_DESTROY(pcq) \ + AnnotatePCQDestroy(__FILE__, __LINE__, pcq) + + /* Report that we are about to put an element into a FIFO queue at address + "pcq". */ +#define _Py_ANNOTATE_PCQ_PUT(pcq) \ + AnnotatePCQPut(__FILE__, __LINE__, pcq) + + /* Report that we've just got an element from a FIFO queue at address "pcq". */ +#define _Py_ANNOTATE_PCQ_GET(pcq) \ + AnnotatePCQGet(__FILE__, __LINE__, pcq) + + /* ------------------------------------------------------------- + Annotations that suppress errors. It is usually better to express the + program's synchronization using the other annotations, but these can + be used when all else fails. */ + + /* Report that we may have a benign race at "pointer", with size + "sizeof(*(pointer))". "pointer" must be a non-void* pointer. Insert at the + point where "pointer" has been allocated, preferably close to the point + where the race happens. See also _Py_ANNOTATE_BENIGN_RACE_STATIC. */ +#define _Py_ANNOTATE_BENIGN_RACE(pointer, description) \ + AnnotateBenignRaceSized(__FILE__, __LINE__, pointer, \ + sizeof(*(pointer)), description) + + /* Same as _Py_ANNOTATE_BENIGN_RACE(address, description), but applies to + the memory range [address, address+size). */ +#define _Py_ANNOTATE_BENIGN_RACE_SIZED(address, size, description) \ + AnnotateBenignRaceSized(__FILE__, __LINE__, address, size, description) + + /* Request the analysis tool to ignore all reads in the current thread + until _Py_ANNOTATE_IGNORE_READS_END is called. + Useful to ignore intentional racey reads, while still checking + other reads and all writes. + See also _Py_ANNOTATE_UNPROTECTED_READ. */ +#define _Py_ANNOTATE_IGNORE_READS_BEGIN() \ + AnnotateIgnoreReadsBegin(__FILE__, __LINE__) + + /* Stop ignoring reads. */ +#define _Py_ANNOTATE_IGNORE_READS_END() \ + AnnotateIgnoreReadsEnd(__FILE__, __LINE__) + + /* Similar to _Py_ANNOTATE_IGNORE_READS_BEGIN, but ignore writes. */ +#define _Py_ANNOTATE_IGNORE_WRITES_BEGIN() \ + AnnotateIgnoreWritesBegin(__FILE__, __LINE__) + + /* Stop ignoring writes. */ +#define _Py_ANNOTATE_IGNORE_WRITES_END() \ + AnnotateIgnoreWritesEnd(__FILE__, __LINE__) + + /* Start ignoring all memory accesses (reads and writes). */ +#define _Py_ANNOTATE_IGNORE_READS_AND_WRITES_BEGIN() \ + do {\ + _Py_ANNOTATE_IGNORE_READS_BEGIN();\ + _Py_ANNOTATE_IGNORE_WRITES_BEGIN();\ + }while(0)\ + + /* Stop ignoring all memory accesses. */ +#define _Py_ANNOTATE_IGNORE_READS_AND_WRITES_END() \ + do {\ + _Py_ANNOTATE_IGNORE_WRITES_END();\ + _Py_ANNOTATE_IGNORE_READS_END();\ + }while(0)\ + + /* Similar to _Py_ANNOTATE_IGNORE_READS_BEGIN, but ignore synchronization events: + RWLOCK* and CONDVAR*. */ +#define _Py_ANNOTATE_IGNORE_SYNC_BEGIN() \ + AnnotateIgnoreSyncBegin(__FILE__, __LINE__) + + /* Stop ignoring sync events. */ +#define _Py_ANNOTATE_IGNORE_SYNC_END() \ + AnnotateIgnoreSyncEnd(__FILE__, __LINE__) + + + /* Enable (enable!=0) or disable (enable==0) race detection for all threads. + This annotation could be useful if you want to skip expensive race analysis + during some period of program execution, e.g. during initialization. */ +#define _Py_ANNOTATE_ENABLE_RACE_DETECTION(enable) \ + AnnotateEnableRaceDetection(__FILE__, __LINE__, enable) + + /* ------------------------------------------------------------- + Annotations useful for debugging. */ + + /* Request to trace every access to "address". */ +#define _Py_ANNOTATE_TRACE_MEMORY(address) \ + AnnotateTraceMemory(__FILE__, __LINE__, address) + + /* Report the current thread name to a race detector. */ +#define _Py_ANNOTATE_THREAD_NAME(name) \ + AnnotateThreadName(__FILE__, __LINE__, name) + + /* ------------------------------------------------------------- + Annotations useful when implementing locks. They are not + normally needed by modules that merely use locks. + The "lock" argument is a pointer to the lock object. */ + + /* Report that a lock has been created at address "lock". */ +#define _Py_ANNOTATE_RWLOCK_CREATE(lock) \ + AnnotateRWLockCreate(__FILE__, __LINE__, lock) + + /* Report that the lock at address "lock" is about to be destroyed. */ +#define _Py_ANNOTATE_RWLOCK_DESTROY(lock) \ + AnnotateRWLockDestroy(__FILE__, __LINE__, lock) + + /* Report that the lock at address "lock" has been acquired. + is_w=1 for writer lock, is_w=0 for reader lock. */ +#define _Py_ANNOTATE_RWLOCK_ACQUIRED(lock, is_w) \ + AnnotateRWLockAcquired(__FILE__, __LINE__, lock, is_w) + + /* Report that the lock at address "lock" is about to be released. */ +#define _Py_ANNOTATE_RWLOCK_RELEASED(lock, is_w) \ + AnnotateRWLockReleased(__FILE__, __LINE__, lock, is_w) + + /* ------------------------------------------------------------- + Annotations useful when implementing barriers. They are not + normally needed by modules that merely use barriers. + The "barrier" argument is a pointer to the barrier object. */ + + /* Report that the "barrier" has been initialized with initial "count". + If 'reinitialization_allowed' is true, initialization is allowed to happen + multiple times w/o calling barrier_destroy() */ +#define _Py_ANNOTATE_BARRIER_INIT(barrier, count, reinitialization_allowed) \ + AnnotateBarrierInit(__FILE__, __LINE__, barrier, count, \ + reinitialization_allowed) + + /* Report that we are about to enter barrier_wait("barrier"). */ +#define _Py_ANNOTATE_BARRIER_WAIT_BEFORE(barrier) \ + AnnotateBarrierWaitBefore(__FILE__, __LINE__, barrier) + + /* Report that we just exited barrier_wait("barrier"). */ +#define _Py_ANNOTATE_BARRIER_WAIT_AFTER(barrier) \ + AnnotateBarrierWaitAfter(__FILE__, __LINE__, barrier) + + /* Report that the "barrier" has been destroyed. */ +#define _Py_ANNOTATE_BARRIER_DESTROY(barrier) \ + AnnotateBarrierDestroy(__FILE__, __LINE__, barrier) + + /* ------------------------------------------------------------- + Annotations useful for testing race detectors. */ + + /* Report that we expect a race on the variable at "address". + Use only in unit tests for a race detector. */ +#define _Py_ANNOTATE_EXPECT_RACE(address, description) \ + AnnotateExpectRace(__FILE__, __LINE__, address, description) + + /* A no-op. Insert where you like to test the interceptors. */ +#define _Py_ANNOTATE_NO_OP(arg) \ + AnnotateNoOp(__FILE__, __LINE__, arg) + + /* Force the race detector to flush its state. The actual effect depends on + * the implementation of the detector. */ +#define _Py_ANNOTATE_FLUSH_STATE() \ + AnnotateFlushState(__FILE__, __LINE__) + + +#else /* DYNAMIC_ANNOTATIONS_ENABLED == 0 */ + +#define _Py_ANNOTATE_RWLOCK_CREATE(lock) /* empty */ +#define _Py_ANNOTATE_RWLOCK_DESTROY(lock) /* empty */ +#define _Py_ANNOTATE_RWLOCK_ACQUIRED(lock, is_w) /* empty */ +#define _Py_ANNOTATE_RWLOCK_RELEASED(lock, is_w) /* empty */ +#define _Py_ANNOTATE_BARRIER_INIT(barrier, count, reinitialization_allowed) /* */ +#define _Py_ANNOTATE_BARRIER_WAIT_BEFORE(barrier) /* empty */ +#define _Py_ANNOTATE_BARRIER_WAIT_AFTER(barrier) /* empty */ +#define _Py_ANNOTATE_BARRIER_DESTROY(barrier) /* empty */ +#define _Py_ANNOTATE_CONDVAR_LOCK_WAIT(cv, lock) /* empty */ +#define _Py_ANNOTATE_CONDVAR_WAIT(cv) /* empty */ +#define _Py_ANNOTATE_CONDVAR_SIGNAL(cv) /* empty */ +#define _Py_ANNOTATE_CONDVAR_SIGNAL_ALL(cv) /* empty */ +#define _Py_ANNOTATE_HAPPENS_BEFORE(obj) /* empty */ +#define _Py_ANNOTATE_HAPPENS_AFTER(obj) /* empty */ +#define _Py_ANNOTATE_PUBLISH_MEMORY_RANGE(address, size) /* empty */ +#define _Py_ANNOTATE_UNPUBLISH_MEMORY_RANGE(address, size) /* empty */ +#define _Py_ANNOTATE_SWAP_MEMORY_RANGE(address, size) /* empty */ +#define _Py_ANNOTATE_PCQ_CREATE(pcq) /* empty */ +#define _Py_ANNOTATE_PCQ_DESTROY(pcq) /* empty */ +#define _Py_ANNOTATE_PCQ_PUT(pcq) /* empty */ +#define _Py_ANNOTATE_PCQ_GET(pcq) /* empty */ +#define _Py_ANNOTATE_NEW_MEMORY(address, size) /* empty */ +#define _Py_ANNOTATE_EXPECT_RACE(address, description) /* empty */ +#define _Py_ANNOTATE_BENIGN_RACE(address, description) /* empty */ +#define _Py_ANNOTATE_BENIGN_RACE_SIZED(address, size, description) /* empty */ +#define _Py_ANNOTATE_PURE_HAPPENS_BEFORE_MUTEX(mu) /* empty */ +#define _Py_ANNOTATE_MUTEX_IS_USED_AS_CONDVAR(mu) /* empty */ +#define _Py_ANNOTATE_TRACE_MEMORY(arg) /* empty */ +#define _Py_ANNOTATE_THREAD_NAME(name) /* empty */ +#define _Py_ANNOTATE_IGNORE_READS_BEGIN() /* empty */ +#define _Py_ANNOTATE_IGNORE_READS_END() /* empty */ +#define _Py_ANNOTATE_IGNORE_WRITES_BEGIN() /* empty */ +#define _Py_ANNOTATE_IGNORE_WRITES_END() /* empty */ +#define _Py_ANNOTATE_IGNORE_READS_AND_WRITES_BEGIN() /* empty */ +#define _Py_ANNOTATE_IGNORE_READS_AND_WRITES_END() /* empty */ +#define _Py_ANNOTATE_IGNORE_SYNC_BEGIN() /* empty */ +#define _Py_ANNOTATE_IGNORE_SYNC_END() /* empty */ +#define _Py_ANNOTATE_ENABLE_RACE_DETECTION(enable) /* empty */ +#define _Py_ANNOTATE_NO_OP(arg) /* empty */ +#define _Py_ANNOTATE_FLUSH_STATE() /* empty */ + +#endif /* DYNAMIC_ANNOTATIONS_ENABLED */ + +/* Use the macros above rather than using these functions directly. */ +#ifdef __cplusplus +extern "C" { +#endif +void AnnotateRWLockCreate(const char *file, int line, + const volatile void *lock); +void AnnotateRWLockDestroy(const char *file, int line, + const volatile void *lock); +void AnnotateRWLockAcquired(const char *file, int line, + const volatile void *lock, long is_w); +void AnnotateRWLockReleased(const char *file, int line, + const volatile void *lock, long is_w); +void AnnotateBarrierInit(const char *file, int line, + const volatile void *barrier, long count, + long reinitialization_allowed); +void AnnotateBarrierWaitBefore(const char *file, int line, + const volatile void *barrier); +void AnnotateBarrierWaitAfter(const char *file, int line, + const volatile void *barrier); +void AnnotateBarrierDestroy(const char *file, int line, + const volatile void *barrier); +void AnnotateCondVarWait(const char *file, int line, + const volatile void *cv, + const volatile void *lock); +void AnnotateCondVarSignal(const char *file, int line, + const volatile void *cv); +void AnnotateCondVarSignalAll(const char *file, int line, + const volatile void *cv); +void AnnotatePublishMemoryRange(const char *file, int line, + const volatile void *address, + long size); +void AnnotateUnpublishMemoryRange(const char *file, int line, + const volatile void *address, + long size); +void AnnotatePCQCreate(const char *file, int line, + const volatile void *pcq); +void AnnotatePCQDestroy(const char *file, int line, + const volatile void *pcq); +void AnnotatePCQPut(const char *file, int line, + const volatile void *pcq); +void AnnotatePCQGet(const char *file, int line, + const volatile void *pcq); +void AnnotateNewMemory(const char *file, int line, + const volatile void *address, + long size); +void AnnotateExpectRace(const char *file, int line, + const volatile void *address, + const char *description); +void AnnotateBenignRace(const char *file, int line, + const volatile void *address, + const char *description); +void AnnotateBenignRaceSized(const char *file, int line, + const volatile void *address, + long size, + const char *description); +void AnnotateMutexIsUsedAsCondVar(const char *file, int line, + const volatile void *mu); +void AnnotateTraceMemory(const char *file, int line, + const volatile void *arg); +void AnnotateThreadName(const char *file, int line, + const char *name); +void AnnotateIgnoreReadsBegin(const char *file, int line); +void AnnotateIgnoreReadsEnd(const char *file, int line); +void AnnotateIgnoreWritesBegin(const char *file, int line); +void AnnotateIgnoreWritesEnd(const char *file, int line); +void AnnotateEnableRaceDetection(const char *file, int line, int enable); +void AnnotateNoOp(const char *file, int line, + const volatile void *arg); +void AnnotateFlushState(const char *file, int line); + +/* Return non-zero value if running under valgrind. + + If "valgrind.h" is included into dynamic_annotations.c, + the regular valgrind mechanism will be used. + See http://valgrind.org/docs/manual/manual-core-adv.html about + RUNNING_ON_VALGRIND and other valgrind "client requests". + The file "valgrind.h" may be obtained by doing + svn co svn://svn.valgrind.org/valgrind/trunk/include + + If for some reason you can't use "valgrind.h" or want to fake valgrind, + there are two ways to make this function return non-zero: + - Use environment variable: export RUNNING_ON_VALGRIND=1 + - Make your tool intercept the function RunningOnValgrind() and + change its return value. + */ +int RunningOnValgrind(void); + +#ifdef __cplusplus +} +#endif + +#if DYNAMIC_ANNOTATIONS_ENABLED != 0 && defined(__cplusplus) + + /* _Py_ANNOTATE_UNPROTECTED_READ is the preferred way to annotate racey reads. + + Instead of doing + _Py_ANNOTATE_IGNORE_READS_BEGIN(); + ... = x; + _Py_ANNOTATE_IGNORE_READS_END(); + one can use + ... = _Py_ANNOTATE_UNPROTECTED_READ(x); */ + template + inline T _Py_ANNOTATE_UNPROTECTED_READ(const volatile T &x) { + _Py_ANNOTATE_IGNORE_READS_BEGIN(); + T res = x; + _Py_ANNOTATE_IGNORE_READS_END(); + return res; + } + /* Apply _Py_ANNOTATE_BENIGN_RACE_SIZED to a static variable. */ +#define _Py_ANNOTATE_BENIGN_RACE_STATIC(static_var, description) \ + namespace { \ + class static_var ## _annotator { \ + public: \ + static_var ## _annotator() { \ + _Py_ANNOTATE_BENIGN_RACE_SIZED(&static_var, \ + sizeof(static_var), \ + # static_var ": " description); \ + } \ + }; \ + static static_var ## _annotator the ## static_var ## _annotator;\ + } +#else /* DYNAMIC_ANNOTATIONS_ENABLED == 0 */ + +#define _Py_ANNOTATE_UNPROTECTED_READ(x) (x) +#define _Py_ANNOTATE_BENIGN_RACE_STATIC(static_var, description) /* empty */ + +#endif /* DYNAMIC_ANNOTATIONS_ENABLED */ + +#endif /* __DYNAMIC_ANNOTATIONS_H__ */ diff --git a/python-headers-win/Include/enumobject.h b/python-headers-win/Include/enumobject.h new file mode 100644 index 000000000..c14dbfc8c --- /dev/null +++ b/python-headers-win/Include/enumobject.h @@ -0,0 +1,17 @@ +#ifndef Py_ENUMOBJECT_H +#define Py_ENUMOBJECT_H + +/* Enumerate Object */ + +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_DATA(PyTypeObject) PyEnum_Type; +PyAPI_DATA(PyTypeObject) PyReversed_Type; + +#ifdef __cplusplus +} +#endif + +#endif /* !Py_ENUMOBJECT_H */ diff --git a/python-headers-win/Include/errcode.h b/python-headers-win/Include/errcode.h new file mode 100644 index 000000000..b37cd261d --- /dev/null +++ b/python-headers-win/Include/errcode.h @@ -0,0 +1,38 @@ +#ifndef Py_ERRCODE_H +#define Py_ERRCODE_H +#ifdef __cplusplus +extern "C" { +#endif + + +/* Error codes passed around between file input, tokenizer, parser and + interpreter. This is necessary so we can turn them into Python + exceptions at a higher level. Note that some errors have a + slightly different meaning when passed from the tokenizer to the + parser than when passed from the parser to the interpreter; e.g. + the parser only returns E_EOF when it hits EOF immediately, and it + never returns E_OK. */ + +#define E_OK 10 /* No error */ +#define E_EOF 11 /* End Of File */ +#define E_INTR 12 /* Interrupted */ +#define E_TOKEN 13 /* Bad token */ +#define E_SYNTAX 14 /* Syntax error */ +#define E_NOMEM 15 /* Ran out of memory */ +#define E_DONE 16 /* Parsing complete */ +#define E_ERROR 17 /* Execution error */ +#define E_TABSPACE 18 /* Inconsistent mixing of tabs and spaces */ +#define E_OVERFLOW 19 /* Node had too many children */ +#define E_TOODEEP 20 /* Too many indentation levels */ +#define E_DEDENT 21 /* No matching outer block for dedent */ +#define E_DECODE 22 /* Error in decoding into Unicode */ +#define E_EOFS 23 /* EOF in triple-quoted string */ +#define E_EOLS 24 /* EOL in single-quoted string */ +#define E_LINECONT 25 /* Unexpected characters after a line continuation */ +#define E_IDENTIFIER 26 /* Invalid characters in identifier */ +#define E_BADSINGLE 27 /* Ill-formed single statement input */ + +#ifdef __cplusplus +} +#endif +#endif /* !Py_ERRCODE_H */ diff --git a/python-headers-win/Include/eval.h b/python-headers-win/Include/eval.h new file mode 100644 index 000000000..2c1c2d054 --- /dev/null +++ b/python-headers-win/Include/eval.h @@ -0,0 +1,37 @@ + +/* Interface to execute compiled code */ + +#ifndef Py_EVAL_H +#define Py_EVAL_H +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_FUNC(PyObject *) PyEval_EvalCode(PyObject *, PyObject *, PyObject *); + +PyAPI_FUNC(PyObject *) PyEval_EvalCodeEx(PyObject *co, + PyObject *globals, + PyObject *locals, + PyObject *const *args, int argc, + PyObject *const *kwds, int kwdc, + PyObject *const *defs, int defc, + PyObject *kwdefs, PyObject *closure); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _PyEval_EvalCodeWithName( + PyObject *co, + PyObject *globals, PyObject *locals, + PyObject *const *args, Py_ssize_t argcount, + PyObject *const *kwnames, PyObject *const *kwargs, + Py_ssize_t kwcount, int kwstep, + PyObject *const *defs, Py_ssize_t defcount, + PyObject *kwdefs, PyObject *closure, + PyObject *name, PyObject *qualname); + +PyAPI_FUNC(PyObject *) _PyEval_CallTracing(PyObject *func, PyObject *args); +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_EVAL_H */ diff --git a/python-headers-win/Include/fileobject.h b/python-headers-win/Include/fileobject.h new file mode 100644 index 000000000..456887ef9 --- /dev/null +++ b/python-headers-win/Include/fileobject.h @@ -0,0 +1,42 @@ +/* File object interface (what's left of it -- see io.py) */ + +#ifndef Py_FILEOBJECT_H +#define Py_FILEOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#define PY_STDIOTEXTMODE "b" + +PyAPI_FUNC(PyObject *) PyFile_FromFd(int, const char *, const char *, int, + const char *, const char *, + const char *, int); +PyAPI_FUNC(PyObject *) PyFile_GetLine(PyObject *, int); +PyAPI_FUNC(int) PyFile_WriteObject(PyObject *, PyObject *, int); +PyAPI_FUNC(int) PyFile_WriteString(const char *, PyObject *); +PyAPI_FUNC(int) PyObject_AsFileDescriptor(PyObject *); + +/* The default encoding used by the platform file system APIs + If non-NULL, this is different than the default encoding for strings +*/ +PyAPI_DATA(const char *) Py_FileSystemDefaultEncoding; +PyAPI_DATA(int) Py_HasFileSystemDefaultEncoding; + +/* A routine to check if a file descriptor can be select()-ed. */ +#ifdef _MSC_VER + /* On Windows, any socket fd can be select()-ed, no matter how high */ + #define _PyIsSelectable_fd(FD) (1) +#else + #define _PyIsSelectable_fd(FD) ((unsigned int)(FD) < (unsigned int)FD_SETSIZE) +#endif + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_FILEOBJECT_H +# include "cpython/fileobject.h" +# undef Py_CPYTHON_FILEOBJECT_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_FILEOBJECT_H */ diff --git a/python-headers-win/Include/fileutils.h b/python-headers-win/Include/fileutils.h new file mode 100644 index 000000000..359dd0ad4 --- /dev/null +++ b/python-headers-win/Include/fileutils.h @@ -0,0 +1,185 @@ +#ifndef Py_FILEUTILS_H +#define Py_FILEUTILS_H +#ifdef __cplusplus +extern "C" { +#endif + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +PyAPI_FUNC(wchar_t *) Py_DecodeLocale( + const char *arg, + size_t *size); + +PyAPI_FUNC(char*) Py_EncodeLocale( + const wchar_t *text, + size_t *error_pos); + +PyAPI_FUNC(char*) _Py_EncodeLocaleRaw( + const wchar_t *text, + size_t *error_pos); +#endif + + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03080000 +typedef enum { + _Py_ERROR_UNKNOWN=0, + _Py_ERROR_STRICT, + _Py_ERROR_SURROGATEESCAPE, + _Py_ERROR_REPLACE, + _Py_ERROR_IGNORE, + _Py_ERROR_BACKSLASHREPLACE, + _Py_ERROR_SURROGATEPASS, + _Py_ERROR_XMLCHARREFREPLACE, + _Py_ERROR_OTHER +} _Py_error_handler; + +PyAPI_FUNC(_Py_error_handler) _Py_GetErrorHandler(const char *errors); + +PyAPI_FUNC(int) _Py_DecodeLocaleEx( + const char *arg, + wchar_t **wstr, + size_t *wlen, + const char **reason, + int current_locale, + _Py_error_handler errors); + +PyAPI_FUNC(int) _Py_EncodeLocaleEx( + const wchar_t *text, + char **str, + size_t *error_pos, + const char **reason, + int current_locale, + _Py_error_handler errors); +#endif + +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _Py_device_encoding(int); + +#if defined(MS_WINDOWS) || defined(__APPLE__) + /* On Windows, the count parameter of read() is an int (bpo-9015, bpo-9611). + On macOS 10.13, read() and write() with more than INT_MAX bytes + fail with EINVAL (bpo-24658). */ +# define _PY_READ_MAX INT_MAX +# define _PY_WRITE_MAX INT_MAX +#else + /* write() should truncate the input to PY_SSIZE_T_MAX bytes, + but it's safer to do it ourself to have a portable behaviour */ +# define _PY_READ_MAX PY_SSIZE_T_MAX +# define _PY_WRITE_MAX PY_SSIZE_T_MAX +#endif + +#ifdef MS_WINDOWS +struct _Py_stat_struct { + unsigned long st_dev; + uint64_t st_ino; + unsigned short st_mode; + int st_nlink; + int st_uid; + int st_gid; + unsigned long st_rdev; + __int64 st_size; + time_t st_atime; + int st_atime_nsec; + time_t st_mtime; + int st_mtime_nsec; + time_t st_ctime; + int st_ctime_nsec; + unsigned long st_file_attributes; + unsigned long st_reparse_tag; +}; +#else +# define _Py_stat_struct stat +#endif + +PyAPI_FUNC(int) _Py_fstat( + int fd, + struct _Py_stat_struct *status); + +PyAPI_FUNC(int) _Py_fstat_noraise( + int fd, + struct _Py_stat_struct *status); + +PyAPI_FUNC(int) _Py_stat( + PyObject *path, + struct stat *status); + +PyAPI_FUNC(int) _Py_open( + const char *pathname, + int flags); + +PyAPI_FUNC(int) _Py_open_noraise( + const char *pathname, + int flags); + +PyAPI_FUNC(FILE *) _Py_wfopen( + const wchar_t *path, + const wchar_t *mode); + +PyAPI_FUNC(FILE*) _Py_fopen( + const char *pathname, + const char *mode); + +PyAPI_FUNC(FILE*) _Py_fopen_obj( + PyObject *path, + const char *mode); + +PyAPI_FUNC(Py_ssize_t) _Py_read( + int fd, + void *buf, + size_t count); + +PyAPI_FUNC(Py_ssize_t) _Py_write( + int fd, + const void *buf, + size_t count); + +PyAPI_FUNC(Py_ssize_t) _Py_write_noraise( + int fd, + const void *buf, + size_t count); + +#ifdef HAVE_READLINK +PyAPI_FUNC(int) _Py_wreadlink( + const wchar_t *path, + wchar_t *buf, + /* Number of characters of 'buf' buffer + including the trailing NUL character */ + size_t buflen); +#endif + +#ifdef HAVE_REALPATH +PyAPI_FUNC(wchar_t*) _Py_wrealpath( + const wchar_t *path, + wchar_t *resolved_path, + /* Number of characters of 'resolved_path' buffer + including the trailing NUL character */ + size_t resolved_path_len); +#endif + +PyAPI_FUNC(wchar_t*) _Py_wgetcwd( + wchar_t *buf, + /* Number of characters of 'buf' buffer + including the trailing NUL character */ + size_t buflen); + +PyAPI_FUNC(int) _Py_get_inheritable(int fd); + +PyAPI_FUNC(int) _Py_set_inheritable(int fd, int inheritable, + int *atomic_flag_works); + +PyAPI_FUNC(int) _Py_set_inheritable_async_safe(int fd, int inheritable, + int *atomic_flag_works); + +PyAPI_FUNC(int) _Py_dup(int fd); + +#ifndef MS_WINDOWS +PyAPI_FUNC(int) _Py_get_blocking(int fd); + +PyAPI_FUNC(int) _Py_set_blocking(int fd, int blocking); +#endif /* !MS_WINDOWS */ + +#endif /* Py_LIMITED_API */ + +#ifdef __cplusplus +} +#endif +#endif /* !Py_FILEUTILS_H */ diff --git a/python-headers-win/Include/floatobject.h b/python-headers-win/Include/floatobject.h new file mode 100644 index 000000000..f1044d64c --- /dev/null +++ b/python-headers-win/Include/floatobject.h @@ -0,0 +1,130 @@ + +/* Float object interface */ + +/* +PyFloatObject represents a (double precision) floating point number. +*/ + +#ifndef Py_FLOATOBJECT_H +#define Py_FLOATOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +typedef struct { + PyObject_HEAD + double ob_fval; +} PyFloatObject; +#endif + +PyAPI_DATA(PyTypeObject) PyFloat_Type; + +#define PyFloat_Check(op) PyObject_TypeCheck(op, &PyFloat_Type) +#define PyFloat_CheckExact(op) (Py_TYPE(op) == &PyFloat_Type) + +#ifdef Py_NAN +#define Py_RETURN_NAN return PyFloat_FromDouble(Py_NAN) +#endif + +#define Py_RETURN_INF(sign) do \ + if (copysign(1., sign) == 1.) { \ + return PyFloat_FromDouble(Py_HUGE_VAL); \ + } else { \ + return PyFloat_FromDouble(-Py_HUGE_VAL); \ + } while(0) + +PyAPI_FUNC(double) PyFloat_GetMax(void); +PyAPI_FUNC(double) PyFloat_GetMin(void); +PyAPI_FUNC(PyObject *) PyFloat_GetInfo(void); + +/* Return Python float from string PyObject. */ +PyAPI_FUNC(PyObject *) PyFloat_FromString(PyObject*); + +/* Return Python float from C double. */ +PyAPI_FUNC(PyObject *) PyFloat_FromDouble(double); + +/* Extract C double from Python float. The macro version trades safety for + speed. */ +PyAPI_FUNC(double) PyFloat_AsDouble(PyObject *); +#ifndef Py_LIMITED_API +#define PyFloat_AS_DOUBLE(op) (((PyFloatObject *)(op))->ob_fval) +#endif + +#ifndef Py_LIMITED_API +/* _PyFloat_{Pack,Unpack}{4,8} + * + * The struct and pickle (at least) modules need an efficient platform- + * independent way to store floating-point values as byte strings. + * The Pack routines produce a string from a C double, and the Unpack + * routines produce a C double from such a string. The suffix (4 or 8) + * specifies the number of bytes in the string. + * + * On platforms that appear to use (see _PyFloat_Init()) IEEE-754 formats + * these functions work by copying bits. On other platforms, the formats the + * 4- byte format is identical to the IEEE-754 single precision format, and + * the 8-byte format to the IEEE-754 double precision format, although the + * packing of INFs and NaNs (if such things exist on the platform) isn't + * handled correctly, and attempting to unpack a string containing an IEEE + * INF or NaN will raise an exception. + * + * On non-IEEE platforms with more precision, or larger dynamic range, than + * 754 supports, not all values can be packed; on non-IEEE platforms with less + * precision, or smaller dynamic range, not all values can be unpacked. What + * happens in such cases is partly accidental (alas). + */ + +/* The pack routines write 2, 4 or 8 bytes, starting at p. le is a bool + * argument, true if you want the string in little-endian format (exponent + * last, at p+1, p+3 or p+7), false if you want big-endian format (exponent + * first, at p). + * Return value: 0 if all is OK, -1 if error (and an exception is + * set, most likely OverflowError). + * There are two problems on non-IEEE platforms: + * 1): What this does is undefined if x is a NaN or infinity. + * 2): -0.0 and +0.0 produce the same string. + */ +PyAPI_FUNC(int) _PyFloat_Pack2(double x, unsigned char *p, int le); +PyAPI_FUNC(int) _PyFloat_Pack4(double x, unsigned char *p, int le); +PyAPI_FUNC(int) _PyFloat_Pack8(double x, unsigned char *p, int le); + +/* Needed for the old way for marshal to store a floating point number. + Returns the string length copied into p, -1 on error. + */ +PyAPI_FUNC(int) _PyFloat_Repr(double x, char *p, size_t len); + +/* Used to get the important decimal digits of a double */ +PyAPI_FUNC(int) _PyFloat_Digits(char *buf, double v, int *signum); +PyAPI_FUNC(void) _PyFloat_DigitsInit(void); + +/* The unpack routines read 2, 4 or 8 bytes, starting at p. le is a bool + * argument, true if the string is in little-endian format (exponent + * last, at p+1, p+3 or p+7), false if big-endian (exponent first, at p). + * Return value: The unpacked double. On error, this is -1.0 and + * PyErr_Occurred() is true (and an exception is set, most likely + * OverflowError). Note that on a non-IEEE platform this will refuse + * to unpack a string that represents a NaN or infinity. + */ +PyAPI_FUNC(double) _PyFloat_Unpack2(const unsigned char *p, int le); +PyAPI_FUNC(double) _PyFloat_Unpack4(const unsigned char *p, int le); +PyAPI_FUNC(double) _PyFloat_Unpack8(const unsigned char *p, int le); + +/* free list api */ +PyAPI_FUNC(int) PyFloat_ClearFreeList(void); + +PyAPI_FUNC(void) _PyFloat_DebugMallocStats(FILE* out); + +/* Format the object based on the format_spec, as defined in PEP 3101 + (Advanced String Formatting). */ +PyAPI_FUNC(int) _PyFloat_FormatAdvancedWriter( + _PyUnicodeWriter *writer, + PyObject *obj, + PyObject *format_spec, + Py_ssize_t start, + Py_ssize_t end); +#endif /* Py_LIMITED_API */ + +#ifdef __cplusplus +} +#endif +#endif /* !Py_FLOATOBJECT_H */ diff --git a/python-headers-win/Include/frameobject.h b/python-headers-win/Include/frameobject.h new file mode 100644 index 000000000..3bad86a66 --- /dev/null +++ b/python-headers-win/Include/frameobject.h @@ -0,0 +1,92 @@ +/* Frame object interface */ + +#ifndef Py_LIMITED_API +#ifndef Py_FRAMEOBJECT_H +#define Py_FRAMEOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +typedef struct { + int b_type; /* what kind of block this is */ + int b_handler; /* where to jump to find handler */ + int b_level; /* value stack level to pop to */ +} PyTryBlock; + +typedef struct _frame { + PyObject_VAR_HEAD + struct _frame *f_back; /* previous frame, or NULL */ + PyCodeObject *f_code; /* code segment */ + PyObject *f_builtins; /* builtin symbol table (PyDictObject) */ + PyObject *f_globals; /* global symbol table (PyDictObject) */ + PyObject *f_locals; /* local symbol table (any mapping) */ + PyObject **f_valuestack; /* points after the last local */ + /* Next free slot in f_valuestack. Frame creation sets to f_valuestack. + Frame evaluation usually NULLs it, but a frame that yields sets it + to the current stack top. */ + PyObject **f_stacktop; + PyObject *f_trace; /* Trace function */ + char f_trace_lines; /* Emit per-line trace events? */ + char f_trace_opcodes; /* Emit per-opcode trace events? */ + + /* Borrowed reference to a generator, or NULL */ + PyObject *f_gen; + + int f_lasti; /* Last instruction if called */ + /* Call PyFrame_GetLineNumber() instead of reading this field + directly. As of 2.3 f_lineno is only valid when tracing is + active (i.e. when f_trace is set). At other times we use + PyCode_Addr2Line to calculate the line from the current + bytecode index. */ + int f_lineno; /* Current line number */ + int f_iblock; /* index in f_blockstack */ + char f_executing; /* whether the frame is still executing */ + PyTryBlock f_blockstack[CO_MAXBLOCKS]; /* for try and loop blocks */ + PyObject *f_localsplus[1]; /* locals+stack, dynamically sized */ +} PyFrameObject; + + +/* Standard object interface */ + +PyAPI_DATA(PyTypeObject) PyFrame_Type; + +#define PyFrame_Check(op) (Py_TYPE(op) == &PyFrame_Type) + +PyAPI_FUNC(PyFrameObject *) PyFrame_New(PyThreadState *, PyCodeObject *, + PyObject *, PyObject *); + +/* only internal use */ +PyFrameObject* _PyFrame_New_NoTrack(PyThreadState *, PyCodeObject *, + PyObject *, PyObject *); + + +/* The rest of the interface is specific for frame objects */ + +/* Block management functions */ + +PyAPI_FUNC(void) PyFrame_BlockSetup(PyFrameObject *, int, int, int); +PyAPI_FUNC(PyTryBlock *) PyFrame_BlockPop(PyFrameObject *); + +/* Extend the value stack */ + +PyAPI_FUNC(PyObject **) PyFrame_ExtendStack(PyFrameObject *, int, int); + +/* Conversions between "fast locals" and locals in dictionary */ + +PyAPI_FUNC(void) PyFrame_LocalsToFast(PyFrameObject *, int); + +PyAPI_FUNC(int) PyFrame_FastToLocalsWithError(PyFrameObject *f); +PyAPI_FUNC(void) PyFrame_FastToLocals(PyFrameObject *); + +PyAPI_FUNC(int) PyFrame_ClearFreeList(void); + +PyAPI_FUNC(void) _PyFrame_DebugMallocStats(FILE *out); + +/* Return the line of code the frame is currently executing. */ +PyAPI_FUNC(int) PyFrame_GetLineNumber(PyFrameObject *); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_FRAMEOBJECT_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/funcobject.h b/python-headers-win/Include/funcobject.h new file mode 100644 index 000000000..e563a74a1 --- /dev/null +++ b/python-headers-win/Include/funcobject.h @@ -0,0 +1,104 @@ + +/* Function object interface */ +#ifndef Py_LIMITED_API +#ifndef Py_FUNCOBJECT_H +#define Py_FUNCOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +/* Function objects and code objects should not be confused with each other: + * + * Function objects are created by the execution of the 'def' statement. + * They reference a code object in their __code__ attribute, which is a + * purely syntactic object, i.e. nothing more than a compiled version of some + * source code lines. There is one code object per source code "fragment", + * but each code object can be referenced by zero or many function objects + * depending only on how many times the 'def' statement in the source was + * executed so far. + */ + +typedef struct { + PyObject_HEAD + PyObject *func_code; /* A code object, the __code__ attribute */ + PyObject *func_globals; /* A dictionary (other mappings won't do) */ + PyObject *func_defaults; /* NULL or a tuple */ + PyObject *func_kwdefaults; /* NULL or a dict */ + PyObject *func_closure; /* NULL or a tuple of cell objects */ + PyObject *func_doc; /* The __doc__ attribute, can be anything */ + PyObject *func_name; /* The __name__ attribute, a string object */ + PyObject *func_dict; /* The __dict__ attribute, a dict or NULL */ + PyObject *func_weakreflist; /* List of weak references */ + PyObject *func_module; /* The __module__ attribute, can be anything */ + PyObject *func_annotations; /* Annotations, a dict or NULL */ + PyObject *func_qualname; /* The qualified name */ + vectorcallfunc vectorcall; + + /* Invariant: + * func_closure contains the bindings for func_code->co_freevars, so + * PyTuple_Size(func_closure) == PyCode_GetNumFree(func_code) + * (func_closure may be NULL if PyCode_GetNumFree(func_code) == 0). + */ +} PyFunctionObject; + +PyAPI_DATA(PyTypeObject) PyFunction_Type; + +#define PyFunction_Check(op) (Py_TYPE(op) == &PyFunction_Type) + +PyAPI_FUNC(PyObject *) PyFunction_New(PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) PyFunction_NewWithQualName(PyObject *, PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) PyFunction_GetCode(PyObject *); +PyAPI_FUNC(PyObject *) PyFunction_GetGlobals(PyObject *); +PyAPI_FUNC(PyObject *) PyFunction_GetModule(PyObject *); +PyAPI_FUNC(PyObject *) PyFunction_GetDefaults(PyObject *); +PyAPI_FUNC(int) PyFunction_SetDefaults(PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) PyFunction_GetKwDefaults(PyObject *); +PyAPI_FUNC(int) PyFunction_SetKwDefaults(PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) PyFunction_GetClosure(PyObject *); +PyAPI_FUNC(int) PyFunction_SetClosure(PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) PyFunction_GetAnnotations(PyObject *); +PyAPI_FUNC(int) PyFunction_SetAnnotations(PyObject *, PyObject *); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _PyFunction_FastCallDict( + PyObject *func, + PyObject *const *args, + Py_ssize_t nargs, + PyObject *kwargs); + +PyAPI_FUNC(PyObject *) _PyFunction_Vectorcall( + PyObject *func, + PyObject *const *stack, + size_t nargsf, + PyObject *kwnames); +#endif + +/* Macros for direct access to these values. Type checks are *not* + done, so use with care. */ +#define PyFunction_GET_CODE(func) \ + (((PyFunctionObject *)func) -> func_code) +#define PyFunction_GET_GLOBALS(func) \ + (((PyFunctionObject *)func) -> func_globals) +#define PyFunction_GET_MODULE(func) \ + (((PyFunctionObject *)func) -> func_module) +#define PyFunction_GET_DEFAULTS(func) \ + (((PyFunctionObject *)func) -> func_defaults) +#define PyFunction_GET_KW_DEFAULTS(func) \ + (((PyFunctionObject *)func) -> func_kwdefaults) +#define PyFunction_GET_CLOSURE(func) \ + (((PyFunctionObject *)func) -> func_closure) +#define PyFunction_GET_ANNOTATIONS(func) \ + (((PyFunctionObject *)func) -> func_annotations) + +/* The classmethod and staticmethod types lives here, too */ +PyAPI_DATA(PyTypeObject) PyClassMethod_Type; +PyAPI_DATA(PyTypeObject) PyStaticMethod_Type; + +PyAPI_FUNC(PyObject *) PyClassMethod_New(PyObject *); +PyAPI_FUNC(PyObject *) PyStaticMethod_New(PyObject *); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_FUNCOBJECT_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/genobject.h b/python-headers-win/Include/genobject.h new file mode 100644 index 000000000..59ede281f --- /dev/null +++ b/python-headers-win/Include/genobject.h @@ -0,0 +1,109 @@ + +/* Generator object interface */ + +#ifndef Py_LIMITED_API +#ifndef Py_GENOBJECT_H +#define Py_GENOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#include "pystate.h" /* _PyErr_StackItem */ + +struct _frame; /* Avoid including frameobject.h */ + +/* _PyGenObject_HEAD defines the initial segment of generator + and coroutine objects. */ +#define _PyGenObject_HEAD(prefix) \ + PyObject_HEAD \ + /* Note: gi_frame can be NULL if the generator is "finished" */ \ + struct _frame *prefix##_frame; \ + /* True if generator is being executed. */ \ + char prefix##_running; \ + /* The code object backing the generator */ \ + PyObject *prefix##_code; \ + /* List of weak reference. */ \ + PyObject *prefix##_weakreflist; \ + /* Name of the generator. */ \ + PyObject *prefix##_name; \ + /* Qualified name of the generator. */ \ + PyObject *prefix##_qualname; \ + _PyErr_StackItem prefix##_exc_state; + +typedef struct { + /* The gi_ prefix is intended to remind of generator-iterator. */ + _PyGenObject_HEAD(gi) +} PyGenObject; + +PyAPI_DATA(PyTypeObject) PyGen_Type; + +#define PyGen_Check(op) PyObject_TypeCheck(op, &PyGen_Type) +#define PyGen_CheckExact(op) (Py_TYPE(op) == &PyGen_Type) + +PyAPI_FUNC(PyObject *) PyGen_New(struct _frame *); +PyAPI_FUNC(PyObject *) PyGen_NewWithQualName(struct _frame *, + PyObject *name, PyObject *qualname); +PyAPI_FUNC(int) PyGen_NeedsFinalizing(PyGenObject *); +PyAPI_FUNC(int) _PyGen_SetStopIterationValue(PyObject *); +PyAPI_FUNC(int) _PyGen_FetchStopIterationValue(PyObject **); +PyAPI_FUNC(PyObject *) _PyGen_Send(PyGenObject *, PyObject *); +PyObject *_PyGen_yf(PyGenObject *); +PyAPI_FUNC(void) _PyGen_Finalize(PyObject *self); + +#ifndef Py_LIMITED_API +typedef struct { + _PyGenObject_HEAD(cr) + PyObject *cr_origin; +} PyCoroObject; + +PyAPI_DATA(PyTypeObject) PyCoro_Type; +PyAPI_DATA(PyTypeObject) _PyCoroWrapper_Type; + +PyAPI_DATA(PyTypeObject) _PyAIterWrapper_Type; + +#define PyCoro_CheckExact(op) (Py_TYPE(op) == &PyCoro_Type) +PyObject *_PyCoro_GetAwaitableIter(PyObject *o); +PyAPI_FUNC(PyObject *) PyCoro_New(struct _frame *, + PyObject *name, PyObject *qualname); + +/* Asynchronous Generators */ + +typedef struct { + _PyGenObject_HEAD(ag) + PyObject *ag_finalizer; + + /* Flag is set to 1 when hooks set up by sys.set_asyncgen_hooks + were called on the generator, to avoid calling them more + than once. */ + int ag_hooks_inited; + + /* Flag is set to 1 when aclose() is called for the first time, or + when a StopAsyncIteration exception is raised. */ + int ag_closed; + + int ag_running_async; +} PyAsyncGenObject; + +PyAPI_DATA(PyTypeObject) PyAsyncGen_Type; +PyAPI_DATA(PyTypeObject) _PyAsyncGenASend_Type; +PyAPI_DATA(PyTypeObject) _PyAsyncGenWrappedValue_Type; +PyAPI_DATA(PyTypeObject) _PyAsyncGenAThrow_Type; + +PyAPI_FUNC(PyObject *) PyAsyncGen_New(struct _frame *, + PyObject *name, PyObject *qualname); + +#define PyAsyncGen_CheckExact(op) (Py_TYPE(op) == &PyAsyncGen_Type) + +PyObject *_PyAsyncGenValueWrapperNew(PyObject *); + +int PyAsyncGen_ClearFreeLists(void); + +#endif + +#undef _PyGenObject_HEAD + +#ifdef __cplusplus +} +#endif +#endif /* !Py_GENOBJECT_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/graminit.h b/python-headers-win/Include/graminit.h new file mode 100644 index 000000000..d1027b7a7 --- /dev/null +++ b/python-headers-win/Include/graminit.h @@ -0,0 +1,94 @@ +/* Generated by Parser/pgen */ + +#define single_input 256 +#define file_input 257 +#define eval_input 258 +#define decorator 259 +#define decorators 260 +#define decorated 261 +#define async_funcdef 262 +#define funcdef 263 +#define parameters 264 +#define typedargslist 265 +#define tfpdef 266 +#define varargslist 267 +#define vfpdef 268 +#define stmt 269 +#define simple_stmt 270 +#define small_stmt 271 +#define expr_stmt 272 +#define annassign 273 +#define testlist_star_expr 274 +#define augassign 275 +#define del_stmt 276 +#define pass_stmt 277 +#define flow_stmt 278 +#define break_stmt 279 +#define continue_stmt 280 +#define return_stmt 281 +#define yield_stmt 282 +#define raise_stmt 283 +#define import_stmt 284 +#define import_name 285 +#define import_from 286 +#define import_as_name 287 +#define dotted_as_name 288 +#define import_as_names 289 +#define dotted_as_names 290 +#define dotted_name 291 +#define global_stmt 292 +#define nonlocal_stmt 293 +#define assert_stmt 294 +#define compound_stmt 295 +#define async_stmt 296 +#define if_stmt 297 +#define while_stmt 298 +#define for_stmt 299 +#define try_stmt 300 +#define with_stmt 301 +#define with_item 302 +#define except_clause 303 +#define suite 304 +#define namedexpr_test 305 +#define test 306 +#define test_nocond 307 +#define lambdef 308 +#define lambdef_nocond 309 +#define or_test 310 +#define and_test 311 +#define not_test 312 +#define comparison 313 +#define comp_op 314 +#define star_expr 315 +#define expr 316 +#define xor_expr 317 +#define and_expr 318 +#define shift_expr 319 +#define arith_expr 320 +#define term 321 +#define factor 322 +#define power 323 +#define atom_expr 324 +#define atom 325 +#define testlist_comp 326 +#define trailer 327 +#define subscriptlist 328 +#define subscript 329 +#define sliceop 330 +#define exprlist 331 +#define testlist 332 +#define dictorsetmaker 333 +#define classdef 334 +#define arglist 335 +#define argument 336 +#define comp_iter 337 +#define sync_comp_for 338 +#define comp_for 339 +#define comp_if 340 +#define encoding_decl 341 +#define yield_expr 342 +#define yield_arg 343 +#define func_body_suite 344 +#define func_type_input 345 +#define func_type 346 +#define typelist 347 diff --git a/python-headers-win/Include/grammar.h b/python-headers-win/Include/grammar.h new file mode 100644 index 000000000..4b66b1e9b --- /dev/null +++ b/python-headers-win/Include/grammar.h @@ -0,0 +1,77 @@ + +/* Grammar interface */ + +#ifndef Py_GRAMMAR_H +#define Py_GRAMMAR_H +#ifdef __cplusplus +extern "C" { +#endif + +#include "bitset.h" /* Sigh... */ + +/* A label of an arc */ + +typedef struct { + int lb_type; + const char *lb_str; +} label; + +#define EMPTY 0 /* Label number 0 is by definition the empty label */ + +/* A list of labels */ + +typedef struct { + int ll_nlabels; + const label *ll_label; +} labellist; + +/* An arc from one state to another */ + +typedef struct { + short a_lbl; /* Label of this arc */ + short a_arrow; /* State where this arc goes to */ +} arc; + +/* A state in a DFA */ + +typedef struct { + int s_narcs; + const arc *s_arc; /* Array of arcs */ + + /* Optional accelerators */ + int s_lower; /* Lowest label index */ + int s_upper; /* Highest label index */ + int *s_accel; /* Accelerator */ + int s_accept; /* Nonzero for accepting state */ +} state; + +/* A DFA */ + +typedef struct { + int d_type; /* Non-terminal this represents */ + char *d_name; /* For printing */ + int d_nstates; + state *d_state; /* Array of states */ + bitset d_first; +} dfa; + +/* A grammar */ + +typedef struct { + int g_ndfas; + const dfa *g_dfa; /* Array of DFAs */ + const labellist g_ll; + int g_start; /* Start symbol of the grammar */ + int g_accel; /* Set if accelerators present */ +} grammar; + +/* FUNCTIONS */ +const dfa *PyGrammar_FindDFA(grammar *g, int type); +const char *PyGrammar_LabelRepr(label *lb); +void PyGrammar_AddAccelerators(grammar *g); +void PyGrammar_RemoveAccelerators(grammar *); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_GRAMMAR_H */ diff --git a/python-headers-win/Include/import.h b/python-headers-win/Include/import.h new file mode 100644 index 000000000..13c614933 --- /dev/null +++ b/python-headers-win/Include/import.h @@ -0,0 +1,149 @@ + +/* Module definition and import interface */ + +#ifndef Py_IMPORT_H +#define Py_IMPORT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +PyMODINIT_FUNC PyInit__imp(void); +#endif /* !Py_LIMITED_API */ +PyAPI_FUNC(long) PyImport_GetMagicNumber(void); +PyAPI_FUNC(const char *) PyImport_GetMagicTag(void); +PyAPI_FUNC(PyObject *) PyImport_ExecCodeModule( + const char *name, /* UTF-8 encoded string */ + PyObject *co + ); +PyAPI_FUNC(PyObject *) PyImport_ExecCodeModuleEx( + const char *name, /* UTF-8 encoded string */ + PyObject *co, + const char *pathname /* decoded from the filesystem encoding */ + ); +PyAPI_FUNC(PyObject *) PyImport_ExecCodeModuleWithPathnames( + const char *name, /* UTF-8 encoded string */ + PyObject *co, + const char *pathname, /* decoded from the filesystem encoding */ + const char *cpathname /* decoded from the filesystem encoding */ + ); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject *) PyImport_ExecCodeModuleObject( + PyObject *name, + PyObject *co, + PyObject *pathname, + PyObject *cpathname + ); +#endif +PyAPI_FUNC(PyObject *) PyImport_GetModuleDict(void); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03070000 +PyAPI_FUNC(PyObject *) PyImport_GetModule(PyObject *name); +#endif +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) _PyImport_IsInitialized(PyInterpreterState *); +PyAPI_FUNC(PyObject *) _PyImport_GetModuleId(struct _Py_Identifier *name); +PyAPI_FUNC(PyObject *) _PyImport_AddModuleObject(PyObject *name, + PyObject *modules); +PyAPI_FUNC(int) _PyImport_SetModule(PyObject *name, PyObject *module); +PyAPI_FUNC(int) _PyImport_SetModuleString(const char *name, PyObject* module); +#endif +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject *) PyImport_AddModuleObject( + PyObject *name + ); +#endif +PyAPI_FUNC(PyObject *) PyImport_AddModule( + const char *name /* UTF-8 encoded string */ + ); +PyAPI_FUNC(PyObject *) PyImport_ImportModule( + const char *name /* UTF-8 encoded string */ + ); +PyAPI_FUNC(PyObject *) PyImport_ImportModuleNoBlock( + const char *name /* UTF-8 encoded string */ + ); +PyAPI_FUNC(PyObject *) PyImport_ImportModuleLevel( + const char *name, /* UTF-8 encoded string */ + PyObject *globals, + PyObject *locals, + PyObject *fromlist, + int level + ); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +PyAPI_FUNC(PyObject *) PyImport_ImportModuleLevelObject( + PyObject *name, + PyObject *globals, + PyObject *locals, + PyObject *fromlist, + int level + ); +#endif + +#define PyImport_ImportModuleEx(n, g, l, f) \ + PyImport_ImportModuleLevel(n, g, l, f, 0) + +PyAPI_FUNC(PyObject *) PyImport_GetImporter(PyObject *path); +PyAPI_FUNC(PyObject *) PyImport_Import(PyObject *name); +PyAPI_FUNC(PyObject *) PyImport_ReloadModule(PyObject *m); +PyAPI_FUNC(void) PyImport_Cleanup(void); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(int) PyImport_ImportFrozenModuleObject( + PyObject *name + ); +#endif +PyAPI_FUNC(int) PyImport_ImportFrozenModule( + const char *name /* UTF-8 encoded string */ + ); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(void) _PyImport_AcquireLock(void); +PyAPI_FUNC(int) _PyImport_ReleaseLock(void); + +PyAPI_FUNC(void) _PyImport_ReInitLock(void); + +PyAPI_FUNC(PyObject *) _PyImport_FindBuiltin( + const char *name, /* UTF-8 encoded string */ + PyObject *modules + ); +PyAPI_FUNC(PyObject *) _PyImport_FindExtensionObject(PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) _PyImport_FindExtensionObjectEx(PyObject *, PyObject *, + PyObject *); +PyAPI_FUNC(int) _PyImport_FixupBuiltin( + PyObject *mod, + const char *name, /* UTF-8 encoded string */ + PyObject *modules + ); +PyAPI_FUNC(int) _PyImport_FixupExtensionObject(PyObject*, PyObject *, + PyObject *, PyObject *); + +struct _inittab { + const char *name; /* ASCII encoded string */ + PyObject* (*initfunc)(void); +}; +PyAPI_DATA(struct _inittab *) PyImport_Inittab; +PyAPI_FUNC(int) PyImport_ExtendInittab(struct _inittab *newtab); +#endif /* Py_LIMITED_API */ + +PyAPI_DATA(PyTypeObject) PyNullImporter_Type; + +PyAPI_FUNC(int) PyImport_AppendInittab( + const char *name, /* ASCII encoded string */ + PyObject* (*initfunc)(void) + ); + +#ifndef Py_LIMITED_API +struct _frozen { + const char *name; /* ASCII encoded string */ + const unsigned char *code; + int size; +}; + +/* Embedding apps may change this pointer to point to their favorite + collection of frozen modules: */ + +PyAPI_DATA(const struct _frozen *) PyImport_FrozenModules; +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_IMPORT_H */ diff --git a/python-headers-win/Include/internal/pycore_accu.h b/python-headers-win/Include/internal/pycore_accu.h new file mode 100644 index 000000000..d346222e4 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_accu.h @@ -0,0 +1,39 @@ +#ifndef Py_LIMITED_API +#ifndef Py_INTERNAL_ACCU_H +#define Py_INTERNAL_ACCU_H +#ifdef __cplusplus +extern "C" { +#endif + +/*** This is a private API for use by the interpreter and the stdlib. + *** Its definition may be changed or removed at any moment. + ***/ + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +/* + * A two-level accumulator of unicode objects that avoids both the overhead + * of keeping a huge number of small separate objects, and the quadratic + * behaviour of using a naive repeated concatenation scheme. + */ + +#undef small /* defined by some Windows headers */ + +typedef struct { + PyObject *large; /* A list of previously accumulated large strings */ + PyObject *small; /* Pending small strings */ +} _PyAccu; + +PyAPI_FUNC(int) _PyAccu_Init(_PyAccu *acc); +PyAPI_FUNC(int) _PyAccu_Accumulate(_PyAccu *acc, PyObject *unicode); +PyAPI_FUNC(PyObject *) _PyAccu_FinishAsList(_PyAccu *acc); +PyAPI_FUNC(PyObject *) _PyAccu_Finish(_PyAccu *acc); +PyAPI_FUNC(void) _PyAccu_Destroy(_PyAccu *acc); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_ACCU_H */ +#endif /* !Py_LIMITED_API */ diff --git a/python-headers-win/Include/internal/pycore_atomic.h b/python-headers-win/Include/internal/pycore_atomic.h new file mode 100644 index 000000000..336bc3fec --- /dev/null +++ b/python-headers-win/Include/internal/pycore_atomic.h @@ -0,0 +1,558 @@ +#ifndef Py_ATOMIC_H +#define Py_ATOMIC_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "dynamic_annotations.h" + +#include "pyconfig.h" + +#if defined(HAVE_STD_ATOMIC) +#include +#endif + + +#if defined(_MSC_VER) +#include +#if defined(_M_IX86) || defined(_M_X64) +# include +#endif +#endif + +/* This is modeled after the atomics interface from C1x, according to + * the draft at + * http://www.open-std.org/JTC1/SC22/wg14/www/docs/n1425.pdf. + * Operations and types are named the same except with a _Py_ prefix + * and have the same semantics. + * + * Beware, the implementations here are deep magic. + */ + +#if defined(HAVE_STD_ATOMIC) + +typedef enum _Py_memory_order { + _Py_memory_order_relaxed = memory_order_relaxed, + _Py_memory_order_acquire = memory_order_acquire, + _Py_memory_order_release = memory_order_release, + _Py_memory_order_acq_rel = memory_order_acq_rel, + _Py_memory_order_seq_cst = memory_order_seq_cst +} _Py_memory_order; + +typedef struct _Py_atomic_address { + atomic_uintptr_t _value; +} _Py_atomic_address; + +typedef struct _Py_atomic_int { + atomic_int _value; +} _Py_atomic_int; + +#define _Py_atomic_signal_fence(/*memory_order*/ ORDER) \ + atomic_signal_fence(ORDER) + +#define _Py_atomic_thread_fence(/*memory_order*/ ORDER) \ + atomic_thread_fence(ORDER) + +#define _Py_atomic_store_explicit(ATOMIC_VAL, NEW_VAL, ORDER) \ + atomic_store_explicit(&((ATOMIC_VAL)->_value), NEW_VAL, ORDER) + +#define _Py_atomic_load_explicit(ATOMIC_VAL, ORDER) \ + atomic_load_explicit(&((ATOMIC_VAL)->_value), ORDER) + +/* Use builtin atomic operations in GCC >= 4.7 */ +#elif defined(HAVE_BUILTIN_ATOMIC) + +typedef enum _Py_memory_order { + _Py_memory_order_relaxed = __ATOMIC_RELAXED, + _Py_memory_order_acquire = __ATOMIC_ACQUIRE, + _Py_memory_order_release = __ATOMIC_RELEASE, + _Py_memory_order_acq_rel = __ATOMIC_ACQ_REL, + _Py_memory_order_seq_cst = __ATOMIC_SEQ_CST +} _Py_memory_order; + +typedef struct _Py_atomic_address { + uintptr_t _value; +} _Py_atomic_address; + +typedef struct _Py_atomic_int { + int _value; +} _Py_atomic_int; + +#define _Py_atomic_signal_fence(/*memory_order*/ ORDER) \ + __atomic_signal_fence(ORDER) + +#define _Py_atomic_thread_fence(/*memory_order*/ ORDER) \ + __atomic_thread_fence(ORDER) + +#define _Py_atomic_store_explicit(ATOMIC_VAL, NEW_VAL, ORDER) \ + (assert((ORDER) == __ATOMIC_RELAXED \ + || (ORDER) == __ATOMIC_SEQ_CST \ + || (ORDER) == __ATOMIC_RELEASE), \ + __atomic_store_n(&((ATOMIC_VAL)->_value), NEW_VAL, ORDER)) + +#define _Py_atomic_load_explicit(ATOMIC_VAL, ORDER) \ + (assert((ORDER) == __ATOMIC_RELAXED \ + || (ORDER) == __ATOMIC_SEQ_CST \ + || (ORDER) == __ATOMIC_ACQUIRE \ + || (ORDER) == __ATOMIC_CONSUME), \ + __atomic_load_n(&((ATOMIC_VAL)->_value), ORDER)) + +/* Only support GCC (for expression statements) and x86 (for simple + * atomic semantics) and MSVC x86/x64/ARM */ +#elif defined(__GNUC__) && (defined(__i386__) || defined(__amd64)) +typedef enum _Py_memory_order { + _Py_memory_order_relaxed, + _Py_memory_order_acquire, + _Py_memory_order_release, + _Py_memory_order_acq_rel, + _Py_memory_order_seq_cst +} _Py_memory_order; + +typedef struct _Py_atomic_address { + uintptr_t _value; +} _Py_atomic_address; + +typedef struct _Py_atomic_int { + int _value; +} _Py_atomic_int; + + +static __inline__ void +_Py_atomic_signal_fence(_Py_memory_order order) +{ + if (order != _Py_memory_order_relaxed) + __asm__ volatile("":::"memory"); +} + +static __inline__ void +_Py_atomic_thread_fence(_Py_memory_order order) +{ + if (order != _Py_memory_order_relaxed) + __asm__ volatile("mfence":::"memory"); +} + +/* Tell the race checker about this operation's effects. */ +static __inline__ void +_Py_ANNOTATE_MEMORY_ORDER(const volatile void *address, _Py_memory_order order) +{ + (void)address; /* shut up -Wunused-parameter */ + switch(order) { + case _Py_memory_order_release: + case _Py_memory_order_acq_rel: + case _Py_memory_order_seq_cst: + _Py_ANNOTATE_HAPPENS_BEFORE(address); + break; + case _Py_memory_order_relaxed: + case _Py_memory_order_acquire: + break; + } + switch(order) { + case _Py_memory_order_acquire: + case _Py_memory_order_acq_rel: + case _Py_memory_order_seq_cst: + _Py_ANNOTATE_HAPPENS_AFTER(address); + break; + case _Py_memory_order_relaxed: + case _Py_memory_order_release: + break; + } +} + +#define _Py_atomic_store_explicit(ATOMIC_VAL, NEW_VAL, ORDER) \ + __extension__ ({ \ + __typeof__(ATOMIC_VAL) atomic_val = ATOMIC_VAL; \ + __typeof__(atomic_val->_value) new_val = NEW_VAL;\ + volatile __typeof__(new_val) *volatile_data = &atomic_val->_value; \ + _Py_memory_order order = ORDER; \ + _Py_ANNOTATE_MEMORY_ORDER(atomic_val, order); \ + \ + /* Perform the operation. */ \ + _Py_ANNOTATE_IGNORE_WRITES_BEGIN(); \ + switch(order) { \ + case _Py_memory_order_release: \ + _Py_atomic_signal_fence(_Py_memory_order_release); \ + /* fallthrough */ \ + case _Py_memory_order_relaxed: \ + *volatile_data = new_val; \ + break; \ + \ + case _Py_memory_order_acquire: \ + case _Py_memory_order_acq_rel: \ + case _Py_memory_order_seq_cst: \ + __asm__ volatile("xchg %0, %1" \ + : "+r"(new_val) \ + : "m"(atomic_val->_value) \ + : "memory"); \ + break; \ + } \ + _Py_ANNOTATE_IGNORE_WRITES_END(); \ + }) + +#define _Py_atomic_load_explicit(ATOMIC_VAL, ORDER) \ + __extension__ ({ \ + __typeof__(ATOMIC_VAL) atomic_val = ATOMIC_VAL; \ + __typeof__(atomic_val->_value) result; \ + volatile __typeof__(result) *volatile_data = &atomic_val->_value; \ + _Py_memory_order order = ORDER; \ + _Py_ANNOTATE_MEMORY_ORDER(atomic_val, order); \ + \ + /* Perform the operation. */ \ + _Py_ANNOTATE_IGNORE_READS_BEGIN(); \ + switch(order) { \ + case _Py_memory_order_release: \ + case _Py_memory_order_acq_rel: \ + case _Py_memory_order_seq_cst: \ + /* Loads on x86 are not releases by default, so need a */ \ + /* thread fence. */ \ + _Py_atomic_thread_fence(_Py_memory_order_release); \ + break; \ + default: \ + /* No fence */ \ + break; \ + } \ + result = *volatile_data; \ + switch(order) { \ + case _Py_memory_order_acquire: \ + case _Py_memory_order_acq_rel: \ + case _Py_memory_order_seq_cst: \ + /* Loads on x86 are automatically acquire operations so */ \ + /* can get by with just a compiler fence. */ \ + _Py_atomic_signal_fence(_Py_memory_order_acquire); \ + break; \ + default: \ + /* No fence */ \ + break; \ + } \ + _Py_ANNOTATE_IGNORE_READS_END(); \ + result; \ + }) + +#elif defined(_MSC_VER) +/* _Interlocked* functions provide a full memory barrier and are therefore + enough for acq_rel and seq_cst. If the HLE variants aren't available + in hardware they will fall back to a full memory barrier as well. + + This might affect performance but likely only in some very specific and + hard to meassure scenario. +*/ +#if defined(_M_IX86) || defined(_M_X64) +typedef enum _Py_memory_order { + _Py_memory_order_relaxed, + _Py_memory_order_acquire, + _Py_memory_order_release, + _Py_memory_order_acq_rel, + _Py_memory_order_seq_cst +} _Py_memory_order; + +typedef struct _Py_atomic_address { + volatile uintptr_t _value; +} _Py_atomic_address; + +typedef struct _Py_atomic_int { + volatile int _value; +} _Py_atomic_int; + + +#if defined(_M_X64) +#define _Py_atomic_store_64bit(ATOMIC_VAL, NEW_VAL, ORDER) \ + switch (ORDER) { \ + case _Py_memory_order_acquire: \ + _InterlockedExchange64_HLEAcquire((__int64 volatile*)&((ATOMIC_VAL)->_value), (__int64)(NEW_VAL)); \ + break; \ + case _Py_memory_order_release: \ + _InterlockedExchange64_HLERelease((__int64 volatile*)&((ATOMIC_VAL)->_value), (__int64)(NEW_VAL)); \ + break; \ + default: \ + _InterlockedExchange64((__int64 volatile*)&((ATOMIC_VAL)->_value), (__int64)(NEW_VAL)); \ + break; \ + } +#else +#define _Py_atomic_store_64bit(ATOMIC_VAL, NEW_VAL, ORDER) ((void)0); +#endif + +#define _Py_atomic_store_32bit(ATOMIC_VAL, NEW_VAL, ORDER) \ + switch (ORDER) { \ + case _Py_memory_order_acquire: \ + _InterlockedExchange_HLEAcquire((volatile long*)&((ATOMIC_VAL)->_value), (int)(NEW_VAL)); \ + break; \ + case _Py_memory_order_release: \ + _InterlockedExchange_HLERelease((volatile long*)&((ATOMIC_VAL)->_value), (int)(NEW_VAL)); \ + break; \ + default: \ + _InterlockedExchange((volatile long*)&((ATOMIC_VAL)->_value), (int)(NEW_VAL)); \ + break; \ + } + +#if defined(_M_X64) +/* This has to be an intptr_t for now. + gil_created() uses -1 as a sentinel value, if this returns + a uintptr_t it will do an unsigned compare and crash +*/ +inline intptr_t _Py_atomic_load_64bit_impl(volatile uintptr_t* value, int order) { + __int64 old; + switch (order) { + case _Py_memory_order_acquire: + { + do { + old = *value; + } while(_InterlockedCompareExchange64_HLEAcquire((volatile __int64*)value, old, old) != old); + break; + } + case _Py_memory_order_release: + { + do { + old = *value; + } while(_InterlockedCompareExchange64_HLERelease((volatile __int64*)value, old, old) != old); + break; + } + case _Py_memory_order_relaxed: + old = *value; + break; + default: + { + do { + old = *value; + } while(_InterlockedCompareExchange64((volatile __int64*)value, old, old) != old); + break; + } + } + return old; +} + +#define _Py_atomic_load_64bit(ATOMIC_VAL, ORDER) \ + _Py_atomic_load_64bit_impl((volatile uintptr_t*)&((ATOMIC_VAL)->_value), (ORDER)) + +#else +#define _Py_atomic_load_64bit(ATOMIC_VAL, ORDER) ((ATOMIC_VAL)->_value) +#endif + +inline int _Py_atomic_load_32bit_impl(volatile int* value, int order) { + long old; + switch (order) { + case _Py_memory_order_acquire: + { + do { + old = *value; + } while(_InterlockedCompareExchange_HLEAcquire((volatile long*)value, old, old) != old); + break; + } + case _Py_memory_order_release: + { + do { + old = *value; + } while(_InterlockedCompareExchange_HLERelease((volatile long*)value, old, old) != old); + break; + } + case _Py_memory_order_relaxed: + old = *value; + break; + default: + { + do { + old = *value; + } while(_InterlockedCompareExchange((volatile long*)value, old, old) != old); + break; + } + } + return old; +} + +#define _Py_atomic_load_32bit(ATOMIC_VAL, ORDER) \ + _Py_atomic_load_32bit_impl((volatile int*)&((ATOMIC_VAL)->_value), (ORDER)) + +#define _Py_atomic_store_explicit(ATOMIC_VAL, NEW_VAL, ORDER) \ + if (sizeof((ATOMIC_VAL)->_value) == 8) { \ + _Py_atomic_store_64bit((ATOMIC_VAL), NEW_VAL, ORDER) } else { \ + _Py_atomic_store_32bit((ATOMIC_VAL), NEW_VAL, ORDER) } + +#define _Py_atomic_load_explicit(ATOMIC_VAL, ORDER) \ + ( \ + sizeof((ATOMIC_VAL)->_value) == 8 ? \ + _Py_atomic_load_64bit((ATOMIC_VAL), ORDER) : \ + _Py_atomic_load_32bit((ATOMIC_VAL), ORDER) \ + ) +#elif defined(_M_ARM) || defined(_M_ARM64) +typedef enum _Py_memory_order { + _Py_memory_order_relaxed, + _Py_memory_order_acquire, + _Py_memory_order_release, + _Py_memory_order_acq_rel, + _Py_memory_order_seq_cst +} _Py_memory_order; + +typedef struct _Py_atomic_address { + volatile uintptr_t _value; +} _Py_atomic_address; + +typedef struct _Py_atomic_int { + volatile int _value; +} _Py_atomic_int; + + +#if defined(_M_ARM64) +#define _Py_atomic_store_64bit(ATOMIC_VAL, NEW_VAL, ORDER) \ + switch (ORDER) { \ + case _Py_memory_order_acquire: \ + _InterlockedExchange64_acq((__int64 volatile*)&((ATOMIC_VAL)->_value), (__int64)NEW_VAL); \ + break; \ + case _Py_memory_order_release: \ + _InterlockedExchange64_rel((__int64 volatile*)&((ATOMIC_VAL)->_value), (__int64)NEW_VAL); \ + break; \ + default: \ + _InterlockedExchange64((__int64 volatile*)&((ATOMIC_VAL)->_value), (__int64)NEW_VAL); \ + break; \ + } +#else +#define _Py_atomic_store_64bit(ATOMIC_VAL, NEW_VAL, ORDER) ((void)0); +#endif + +#define _Py_atomic_store_32bit(ATOMIC_VAL, NEW_VAL, ORDER) \ + switch (ORDER) { \ + case _Py_memory_order_acquire: \ + _InterlockedExchange_acq((volatile long*)&((ATOMIC_VAL)->_value), (int)NEW_VAL); \ + break; \ + case _Py_memory_order_release: \ + _InterlockedExchange_rel((volatile long*)&((ATOMIC_VAL)->_value), (int)NEW_VAL); \ + break; \ + default: \ + _InterlockedExchange((volatile long*)&((ATOMIC_VAL)->_value), (int)NEW_VAL); \ + break; \ + } + +#if defined(_M_ARM64) +/* This has to be an intptr_t for now. + gil_created() uses -1 as a sentinel value, if this returns + a uintptr_t it will do an unsigned compare and crash +*/ +inline intptr_t _Py_atomic_load_64bit_impl(volatile uintptr_t* value, int order) { + uintptr_t old; + switch (order) { + case _Py_memory_order_acquire: + { + do { + old = *value; + } while(_InterlockedCompareExchange64_acq(value, old, old) != old); + break; + } + case _Py_memory_order_release: + { + do { + old = *value; + } while(_InterlockedCompareExchange64_rel(value, old, old) != old); + break; + } + case _Py_memory_order_relaxed: + old = *value; + break; + default: + { + do { + old = *value; + } while(_InterlockedCompareExchange64(value, old, old) != old); + break; + } + } + return old; +} + +#define _Py_atomic_load_64bit(ATOMIC_VAL, ORDER) \ + _Py_atomic_load_64bit_impl((volatile uintptr_t*)&((ATOMIC_VAL)->_value), (ORDER)) + +#else +#define _Py_atomic_load_64bit(ATOMIC_VAL, ORDER) ((ATOMIC_VAL)->_value) +#endif + +inline int _Py_atomic_load_32bit_impl(volatile int* value, int order) { + int old; + switch (order) { + case _Py_memory_order_acquire: + { + do { + old = *value; + } while(_InterlockedCompareExchange_acq(value, old, old) != old); + break; + } + case _Py_memory_order_release: + { + do { + old = *value; + } while(_InterlockedCompareExchange_rel(value, old, old) != old); + break; + } + case _Py_memory_order_relaxed: + old = *value; + break; + default: + { + do { + old = *value; + } while(_InterlockedCompareExchange(value, old, old) != old); + break; + } + } + return old; +} + +#define _Py_atomic_load_32bit(ATOMIC_VAL, ORDER) \ + _Py_atomic_load_32bit_impl((volatile int*)&((ATOMIC_VAL)->_value), (ORDER)) + +#define _Py_atomic_store_explicit(ATOMIC_VAL, NEW_VAL, ORDER) \ + if (sizeof((ATOMIC_VAL)->_value) == 8) { \ + _Py_atomic_store_64bit((ATOMIC_VAL), (NEW_VAL), (ORDER)) } else { \ + _Py_atomic_store_32bit((ATOMIC_VAL), (NEW_VAL), (ORDER)) } + +#define _Py_atomic_load_explicit(ATOMIC_VAL, ORDER) \ + ( \ + sizeof((ATOMIC_VAL)->_value) == 8 ? \ + _Py_atomic_load_64bit((ATOMIC_VAL), (ORDER)) : \ + _Py_atomic_load_32bit((ATOMIC_VAL), (ORDER)) \ + ) +#endif +#else /* !gcc x86 !_msc_ver */ +typedef enum _Py_memory_order { + _Py_memory_order_relaxed, + _Py_memory_order_acquire, + _Py_memory_order_release, + _Py_memory_order_acq_rel, + _Py_memory_order_seq_cst +} _Py_memory_order; + +typedef struct _Py_atomic_address { + uintptr_t _value; +} _Py_atomic_address; + +typedef struct _Py_atomic_int { + int _value; +} _Py_atomic_int; +/* Fall back to other compilers and processors by assuming that simple + volatile accesses are atomic. This is false, so people should port + this. */ +#define _Py_atomic_signal_fence(/*memory_order*/ ORDER) ((void)0) +#define _Py_atomic_thread_fence(/*memory_order*/ ORDER) ((void)0) +#define _Py_atomic_store_explicit(ATOMIC_VAL, NEW_VAL, ORDER) \ + ((ATOMIC_VAL)->_value = NEW_VAL) +#define _Py_atomic_load_explicit(ATOMIC_VAL, ORDER) \ + ((ATOMIC_VAL)->_value) +#endif + +/* Standardized shortcuts. */ +#define _Py_atomic_store(ATOMIC_VAL, NEW_VAL) \ + _Py_atomic_store_explicit((ATOMIC_VAL), (NEW_VAL), _Py_memory_order_seq_cst) +#define _Py_atomic_load(ATOMIC_VAL) \ + _Py_atomic_load_explicit((ATOMIC_VAL), _Py_memory_order_seq_cst) + +/* Python-local extensions */ + +#define _Py_atomic_store_relaxed(ATOMIC_VAL, NEW_VAL) \ + _Py_atomic_store_explicit((ATOMIC_VAL), (NEW_VAL), _Py_memory_order_relaxed) +#define _Py_atomic_load_relaxed(ATOMIC_VAL) \ + _Py_atomic_load_explicit((ATOMIC_VAL), _Py_memory_order_relaxed) + +#ifdef __cplusplus +} +#endif +#endif /* Py_ATOMIC_H */ diff --git a/python-headers-win/Include/internal/pycore_ceval.h b/python-headers-win/Include/internal/pycore_ceval.h new file mode 100644 index 000000000..4c1c0e243 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_ceval.h @@ -0,0 +1,37 @@ +#ifndef Py_INTERNAL_CEVAL_H +#define Py_INTERNAL_CEVAL_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "pycore_atomic.h" +#include "pycore_pystate.h" +#include "pythread.h" + +PyAPI_FUNC(void) _Py_FinishPendingCalls(_PyRuntimeState *runtime); +PyAPI_FUNC(void) _PyEval_Initialize(struct _ceval_runtime_state *); +PyAPI_FUNC(void) _PyEval_FiniThreads( + struct _ceval_runtime_state *ceval); +PyAPI_FUNC(void) _PyEval_SignalReceived( + struct _ceval_runtime_state *ceval); +PyAPI_FUNC(int) _PyEval_AddPendingCall( + PyThreadState *tstate, + struct _ceval_runtime_state *ceval, + int (*func)(void *), + void *arg); +PyAPI_FUNC(void) _PyEval_SignalAsyncExc( + struct _ceval_runtime_state *ceval); +PyAPI_FUNC(void) _PyEval_ReInitThreads( + _PyRuntimeState *runtime); + +/* Private function */ +void _PyEval_Fini(void); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_CEVAL_H */ diff --git a/python-headers-win/Include/internal/pycore_code.h b/python-headers-win/Include/internal/pycore_code.h new file mode 100644 index 000000000..88956f109 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_code.h @@ -0,0 +1,27 @@ +#ifndef Py_INTERNAL_CODE_H +#define Py_INTERNAL_CODE_H +#ifdef __cplusplus +extern "C" { +#endif + +typedef struct { + PyObject *ptr; /* Cached pointer (borrowed reference) */ + uint64_t globals_ver; /* ma_version of global dict */ + uint64_t builtins_ver; /* ma_version of builtin dict */ +} _PyOpcache_LoadGlobal; + +struct _PyOpcache { + union { + _PyOpcache_LoadGlobal lg; + } u; + char optimized; +}; + +/* Private API */ +int _PyCode_InitOpcache(PyCodeObject *co); + + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_CODE_H */ diff --git a/python-headers-win/Include/internal/pycore_condvar.h b/python-headers-win/Include/internal/pycore_condvar.h new file mode 100644 index 000000000..8b89d7095 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_condvar.h @@ -0,0 +1,95 @@ +#ifndef Py_INTERNAL_CONDVAR_H +#define Py_INTERNAL_CONDVAR_H + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#ifndef _POSIX_THREADS +/* This means pthreads are not implemented in libc headers, hence the macro + not present in unistd.h. But they still can be implemented as an external + library (e.g. gnu pth in pthread emulation) */ +# ifdef HAVE_PTHREAD_H +# include /* _POSIX_THREADS */ +# endif +#endif + +#ifdef _POSIX_THREADS +/* + * POSIX support + */ +#define Py_HAVE_CONDVAR + +#include + +#define PyMUTEX_T pthread_mutex_t +#define PyCOND_T pthread_cond_t + +#elif defined(NT_THREADS) +/* + * Windows (XP, 2003 server and later, as well as (hopefully) CE) support + * + * Emulated condition variables ones that work with XP and later, plus + * example native support on VISTA and onwards. + */ +#define Py_HAVE_CONDVAR + +/* include windows if it hasn't been done before */ +#define WIN32_LEAN_AND_MEAN +#include + +/* options */ +/* non-emulated condition variables are provided for those that want + * to target Windows Vista. Modify this macro to enable them. + */ +#ifndef _PY_EMULATED_WIN_CV +#define _PY_EMULATED_WIN_CV 1 /* use emulated condition variables */ +#endif + +/* fall back to emulation if not targeting Vista */ +#if !defined NTDDI_VISTA || NTDDI_VERSION < NTDDI_VISTA +#undef _PY_EMULATED_WIN_CV +#define _PY_EMULATED_WIN_CV 1 +#endif + +#if _PY_EMULATED_WIN_CV + +typedef CRITICAL_SECTION PyMUTEX_T; + +/* The ConditionVariable object. From XP onwards it is easily emulated + with a Semaphore. + Semaphores are available on Windows XP (2003 server) and later. + We use a Semaphore rather than an auto-reset event, because although + an auto-resent event might appear to solve the lost-wakeup bug (race + condition between releasing the outer lock and waiting) because it + maintains state even though a wait hasn't happened, there is still + a lost wakeup problem if more than one thread are interrupted in the + critical place. A semaphore solves that, because its state is + counted, not Boolean. + Because it is ok to signal a condition variable with no one + waiting, we need to keep track of the number of + waiting threads. Otherwise, the semaphore's state could rise + without bound. This also helps reduce the number of "spurious wakeups" + that would otherwise happen. + */ + +typedef struct _PyCOND_T +{ + HANDLE sem; + int waiting; /* to allow PyCOND_SIGNAL to be a no-op */ +} PyCOND_T; + +#else /* !_PY_EMULATED_WIN_CV */ + +/* Use native Win7 primitives if build target is Win7 or higher */ + +/* SRWLOCK is faster and better than CriticalSection */ +typedef SRWLOCK PyMUTEX_T; + +typedef CONDITION_VARIABLE PyCOND_T; + +#endif /* _PY_EMULATED_WIN_CV */ + +#endif /* _POSIX_THREADS, NT_THREADS */ + +#endif /* Py_INTERNAL_CONDVAR_H */ diff --git a/python-headers-win/Include/internal/pycore_context.h b/python-headers-win/Include/internal/pycore_context.h new file mode 100644 index 000000000..5e1ba0d03 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_context.h @@ -0,0 +1,42 @@ +#ifndef Py_INTERNAL_CONTEXT_H +#define Py_INTERNAL_CONTEXT_H + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "pycore_hamt.h" + +struct _pycontextobject { + PyObject_HEAD + PyContext *ctx_prev; + PyHamtObject *ctx_vars; + PyObject *ctx_weakreflist; + int ctx_entered; +}; + + +struct _pycontextvarobject { + PyObject_HEAD + PyObject *var_name; + PyObject *var_default; + PyObject *var_cached; + uint64_t var_cached_tsid; + uint64_t var_cached_tsver; + Py_hash_t var_hash; +}; + + +struct _pycontexttokenobject { + PyObject_HEAD + PyContext *tok_ctx; + PyContextVar *tok_var; + PyObject *tok_oldval; + int tok_used; +}; + + +int _PyContext_Init(void); +void _PyContext_Fini(void); + +#endif /* !Py_INTERNAL_CONTEXT_H */ diff --git a/python-headers-win/Include/internal/pycore_fileutils.h b/python-headers-win/Include/internal/pycore_fileutils.h new file mode 100644 index 000000000..bbee58617 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_fileutils.h @@ -0,0 +1,54 @@ +#ifndef Py_INTERNAL_FILEUTILS_H +#define Py_INTERNAL_FILEUTILS_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "Py_BUILD_CORE must be defined to include this header" +#endif + +#include /* struct lconv */ + +PyAPI_DATA(int) _Py_HasFileSystemDefaultEncodeErrors; + +PyAPI_FUNC(int) _Py_DecodeUTF8Ex( + const char *arg, + Py_ssize_t arglen, + wchar_t **wstr, + size_t *wlen, + const char **reason, + _Py_error_handler errors); + +PyAPI_FUNC(int) _Py_EncodeUTF8Ex( + const wchar_t *text, + char **str, + size_t *error_pos, + const char **reason, + int raw_malloc, + _Py_error_handler errors); + +PyAPI_FUNC(wchar_t*) _Py_DecodeUTF8_surrogateescape( + const char *arg, + Py_ssize_t arglen, + size_t *wlen); + +PyAPI_FUNC(int) _Py_GetForceASCII(void); + +/* Reset "force ASCII" mode (if it was initialized). + + This function should be called when Python changes the LC_CTYPE locale, + so the "force ASCII" mode can be detected again on the new locale + encoding. */ +PyAPI_FUNC(void) _Py_ResetForceASCII(void); + + +PyAPI_FUNC(int) _Py_GetLocaleconvNumeric( + struct lconv *lc, + PyObject **decimal_point, + PyObject **thousands_sep); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_FILEUTILS_H */ diff --git a/python-headers-win/Include/internal/pycore_getopt.h b/python-headers-win/Include/internal/pycore_getopt.h new file mode 100644 index 000000000..7f0dd13ae --- /dev/null +++ b/python-headers-win/Include/internal/pycore_getopt.h @@ -0,0 +1,22 @@ +#ifndef Py_INTERNAL_PYGETOPT_H +#define Py_INTERNAL_PYGETOPT_H + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +extern int _PyOS_opterr; +extern Py_ssize_t _PyOS_optind; +extern const wchar_t *_PyOS_optarg; + +extern void _PyOS_ResetGetOpt(void); + +typedef struct { + const wchar_t *name; + int has_arg; + int val; +} _PyOS_LongOption; + +extern int _PyOS_GetOpt(Py_ssize_t argc, wchar_t * const *argv, int *longindex); + +#endif /* !Py_INTERNAL_PYGETOPT_H */ diff --git a/python-headers-win/Include/internal/pycore_gil.h b/python-headers-win/Include/internal/pycore_gil.h new file mode 100644 index 000000000..7de316397 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_gil.h @@ -0,0 +1,50 @@ +#ifndef Py_INTERNAL_GIL_H +#define Py_INTERNAL_GIL_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "pycore_condvar.h" +#include "pycore_atomic.h" + +#ifndef Py_HAVE_CONDVAR +# error You need either a POSIX-compatible or a Windows system! +#endif + +/* Enable if you want to force the switching of threads at least + every `interval`. */ +#undef FORCE_SWITCHING +#define FORCE_SWITCHING + +struct _gil_runtime_state { + /* microseconds (the Python API uses seconds, though) */ + unsigned long interval; + /* Last PyThreadState holding / having held the GIL. This helps us + know whether anyone else was scheduled after we dropped the GIL. */ + _Py_atomic_address last_holder; + /* Whether the GIL is already taken (-1 if uninitialized). This is + atomic because it can be read without any lock taken in ceval.c. */ + _Py_atomic_int locked; + /* Number of GIL switches since the beginning. */ + unsigned long switch_number; + /* This condition variable allows one or several threads to wait + until the GIL is released. In addition, the mutex also protects + the above variables. */ + PyCOND_T cond; + PyMUTEX_T mutex; +#ifdef FORCE_SWITCHING + /* This condition variable helps the GIL-releasing thread wait for + a GIL-awaiting thread to be scheduled and take the GIL. */ + PyCOND_T switch_cond; + PyMUTEX_T switch_mutex; +#endif +}; + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_GIL_H */ diff --git a/python-headers-win/Include/internal/pycore_hamt.h b/python-headers-win/Include/internal/pycore_hamt.h new file mode 100644 index 000000000..e65aef5e2 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_hamt.h @@ -0,0 +1,116 @@ +#ifndef Py_INTERNAL_HAMT_H +#define Py_INTERNAL_HAMT_H + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#define _Py_HAMT_MAX_TREE_DEPTH 7 + + +#define PyHamt_Check(o) (Py_TYPE(o) == &_PyHamt_Type) + + +/* Abstract tree node. */ +typedef struct { + PyObject_HEAD +} PyHamtNode; + + +/* An HAMT immutable mapping collection. */ +typedef struct { + PyObject_HEAD + PyHamtNode *h_root; + PyObject *h_weakreflist; + Py_ssize_t h_count; +} PyHamtObject; + + +/* A struct to hold the state of depth-first traverse of the tree. + + HAMT is an immutable collection. Iterators will hold a strong reference + to it, and every node in the HAMT has strong references to its children. + + So for iterators, we can implement zero allocations and zero reference + inc/dec depth-first iteration. + + - i_nodes: an array of seven pointers to tree nodes + - i_level: the current node in i_nodes + - i_pos: an array of positions within nodes in i_nodes. +*/ +typedef struct { + PyHamtNode *i_nodes[_Py_HAMT_MAX_TREE_DEPTH]; + Py_ssize_t i_pos[_Py_HAMT_MAX_TREE_DEPTH]; + int8_t i_level; +} PyHamtIteratorState; + + +/* Base iterator object. + + Contains the iteration state, a pointer to the HAMT tree, + and a pointer to the 'yield function'. The latter is a simple + function that returns a key/value tuple for the 'Items' iterator, + just a key for the 'Keys' iterator, and a value for the 'Values' + iterator. +*/ +typedef struct { + PyObject_HEAD + PyHamtObject *hi_obj; + PyHamtIteratorState hi_iter; + binaryfunc hi_yield; +} PyHamtIterator; + + +PyAPI_DATA(PyTypeObject) _PyHamt_Type; +PyAPI_DATA(PyTypeObject) _PyHamt_ArrayNode_Type; +PyAPI_DATA(PyTypeObject) _PyHamt_BitmapNode_Type; +PyAPI_DATA(PyTypeObject) _PyHamt_CollisionNode_Type; +PyAPI_DATA(PyTypeObject) _PyHamtKeys_Type; +PyAPI_DATA(PyTypeObject) _PyHamtValues_Type; +PyAPI_DATA(PyTypeObject) _PyHamtItems_Type; + + +/* Create a new HAMT immutable mapping. */ +PyHamtObject * _PyHamt_New(void); + +/* Return a new collection based on "o", but with an additional + key/val pair. */ +PyHamtObject * _PyHamt_Assoc(PyHamtObject *o, PyObject *key, PyObject *val); + +/* Return a new collection based on "o", but without "key". */ +PyHamtObject * _PyHamt_Without(PyHamtObject *o, PyObject *key); + +/* Find "key" in the "o" collection. + + Return: + - -1: An error occurred. + - 0: "key" wasn't found in "o". + - 1: "key" is in "o"; "*val" is set to its value (a borrowed ref). +*/ +int _PyHamt_Find(PyHamtObject *o, PyObject *key, PyObject **val); + +/* Check if "v" is equal to "w". + + Return: + - 0: v != w + - 1: v == w + - -1: An error occurred. +*/ +int _PyHamt_Eq(PyHamtObject *v, PyHamtObject *w); + +/* Return the size of "o"; equivalent of "len(o)". */ +Py_ssize_t _PyHamt_Len(PyHamtObject *o); + +/* Return a Keys iterator over "o". */ +PyObject * _PyHamt_NewIterKeys(PyHamtObject *o); + +/* Return a Values iterator over "o". */ +PyObject * _PyHamt_NewIterValues(PyHamtObject *o); + +/* Return a Items iterator over "o". */ +PyObject * _PyHamt_NewIterItems(PyHamtObject *o); + +int _PyHamt_Init(void); +void _PyHamt_Fini(void); + +#endif /* !Py_INTERNAL_HAMT_H */ diff --git a/python-headers-win/Include/internal/pycore_initconfig.h b/python-headers-win/Include/internal/pycore_initconfig.h new file mode 100644 index 000000000..40831c44b --- /dev/null +++ b/python-headers-win/Include/internal/pycore_initconfig.h @@ -0,0 +1,166 @@ +#ifndef Py_INTERNAL_CORECONFIG_H +#define Py_INTERNAL_CORECONFIG_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "pycore_pystate.h" /* _PyRuntimeState */ + +/* --- PyStatus ----------------------------------------------- */ + +/* Almost all errors causing Python initialization to fail */ +#ifdef _MSC_VER + /* Visual Studio 2015 doesn't implement C99 __func__ in C */ +# define _PyStatus_GET_FUNC() __FUNCTION__ +#else +# define _PyStatus_GET_FUNC() __func__ +#endif + +#define _PyStatus_OK() \ + (PyStatus){._type = _PyStatus_TYPE_OK,} + /* other fields are set to 0 */ +#define _PyStatus_ERR(ERR_MSG) \ + (PyStatus){ \ + ._type = _PyStatus_TYPE_ERROR, \ + .func = _PyStatus_GET_FUNC(), \ + .err_msg = (ERR_MSG)} + /* other fields are set to 0 */ +#define _PyStatus_NO_MEMORY() _PyStatus_ERR("memory allocation failed") +#define _PyStatus_EXIT(EXITCODE) \ + (PyStatus){ \ + ._type = _PyStatus_TYPE_EXIT, \ + .exitcode = (EXITCODE)} +#define _PyStatus_IS_ERROR(err) \ + (err._type == _PyStatus_TYPE_ERROR) +#define _PyStatus_IS_EXIT(err) \ + (err._type == _PyStatus_TYPE_EXIT) +#define _PyStatus_EXCEPTION(err) \ + (err._type != _PyStatus_TYPE_OK) +#define _PyStatus_UPDATE_FUNC(err) \ + do { err.func = _PyStatus_GET_FUNC(); } while (0) + +/* --- PyWideStringList ------------------------------------------------ */ + +#define _PyWideStringList_INIT (PyWideStringList){.length = 0, .items = NULL} + +#ifndef NDEBUG +PyAPI_FUNC(int) _PyWideStringList_CheckConsistency(const PyWideStringList *list); +#endif +PyAPI_FUNC(void) _PyWideStringList_Clear(PyWideStringList *list); +PyAPI_FUNC(int) _PyWideStringList_Copy(PyWideStringList *list, + const PyWideStringList *list2); +PyAPI_FUNC(PyStatus) _PyWideStringList_Extend(PyWideStringList *list, + const PyWideStringList *list2); +PyAPI_FUNC(PyObject*) _PyWideStringList_AsList(const PyWideStringList *list); + + +/* --- _PyArgv ---------------------------------------------------- */ + +typedef struct { + Py_ssize_t argc; + int use_bytes_argv; + char * const *bytes_argv; + wchar_t * const *wchar_argv; +} _PyArgv; + +PyAPI_FUNC(PyStatus) _PyArgv_AsWstrList(const _PyArgv *args, + PyWideStringList *list); + + +/* --- Helper functions ------------------------------------------- */ + +PyAPI_FUNC(int) _Py_str_to_int( + const char *str, + int *result); +PyAPI_FUNC(const wchar_t*) _Py_get_xoption( + const PyWideStringList *xoptions, + const wchar_t *name); +PyAPI_FUNC(const char*) _Py_GetEnv( + int use_environment, + const char *name); +PyAPI_FUNC(void) _Py_get_env_flag( + int use_environment, + int *flag, + const char *name); + +/* Py_GetArgcArgv() helper */ +PyAPI_FUNC(void) _Py_ClearArgcArgv(void); + + +/* --- _PyPreCmdline ------------------------------------------------- */ + +typedef struct { + PyWideStringList argv; + PyWideStringList xoptions; /* "-X value" option */ + int isolated; /* -I option */ + int use_environment; /* -E option */ + int dev_mode; /* -X dev and PYTHONDEVMODE */ +} _PyPreCmdline; + +#define _PyPreCmdline_INIT \ + (_PyPreCmdline){ \ + .use_environment = -1, \ + .isolated = -1, \ + .dev_mode = -1} +/* Note: _PyPreCmdline_INIT sets other fields to 0/NULL */ + +extern void _PyPreCmdline_Clear(_PyPreCmdline *cmdline); +extern PyStatus _PyPreCmdline_SetArgv(_PyPreCmdline *cmdline, + const _PyArgv *args); +extern PyStatus _PyPreCmdline_SetConfig( + const _PyPreCmdline *cmdline, + PyConfig *config); +extern PyStatus _PyPreCmdline_Read(_PyPreCmdline *cmdline, + const PyPreConfig *preconfig); + + +/* --- PyPreConfig ----------------------------------------------- */ + +PyAPI_FUNC(void) _PyPreConfig_InitCompatConfig(PyPreConfig *preconfig); +extern void _PyPreConfig_InitFromConfig( + PyPreConfig *preconfig, + const PyConfig *config); +extern PyStatus _PyPreConfig_InitFromPreConfig( + PyPreConfig *preconfig, + const PyPreConfig *config2); +extern PyObject* _PyPreConfig_AsDict(const PyPreConfig *preconfig); +extern void _PyPreConfig_GetConfig(PyPreConfig *preconfig, + const PyConfig *config); +extern PyStatus _PyPreConfig_Read(PyPreConfig *preconfig, + const _PyArgv *args); +extern PyStatus _PyPreConfig_Write(const PyPreConfig *preconfig); + + +/* --- PyConfig ---------------------------------------------- */ + +typedef enum { + /* Py_Initialize() API: backward compatibility with Python 3.6 and 3.7 */ + _PyConfig_INIT_COMPAT = 1, + _PyConfig_INIT_PYTHON = 2, + _PyConfig_INIT_ISOLATED = 3 +} _PyConfigInitEnum; + +PyAPI_FUNC(void) _PyConfig_InitCompatConfig(PyConfig *config); +extern PyStatus _PyConfig_Copy( + PyConfig *config, + const PyConfig *config2); +extern PyStatus _PyConfig_InitPathConfig(PyConfig *config); +extern void _PyConfig_Write(const PyConfig *config, + _PyRuntimeState *runtime); +extern PyStatus _PyConfig_SetPyArgv( + PyConfig *config, + const _PyArgv *args); + + +/* --- Function used for testing ---------------------------------- */ + +PyAPI_FUNC(PyObject*) _Py_GetConfigsAsDict(void); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_CORECONFIG_H */ diff --git a/python-headers-win/Include/internal/pycore_object.h b/python-headers-win/Include/internal/pycore_object.h new file mode 100644 index 000000000..7418c6936 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_object.h @@ -0,0 +1,81 @@ +#ifndef Py_INTERNAL_OBJECT_H +#define Py_INTERNAL_OBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "pycore_pystate.h" /* _PyRuntime */ + +PyAPI_FUNC(int) _PyType_CheckConsistency(PyTypeObject *type); +PyAPI_FUNC(int) _PyDict_CheckConsistency(PyObject *mp, int check_content); + +/* Tell the GC to track this object. + * + * NB: While the object is tracked by the collector, it must be safe to call the + * ob_traverse method. + * + * Internal note: _PyRuntime.gc.generation0->_gc_prev doesn't have any bit flags + * because it's not object header. So we don't use _PyGCHead_PREV() and + * _PyGCHead_SET_PREV() for it to avoid unnecessary bitwise operations. + * + * The PyObject_GC_Track() function is the public version of this macro. + */ +static inline void _PyObject_GC_TRACK_impl(const char *filename, int lineno, + PyObject *op) +{ + _PyObject_ASSERT_FROM(op, !_PyObject_GC_IS_TRACKED(op), + "object already tracked by the garbage collector", + filename, lineno, "_PyObject_GC_TRACK"); + + PyGC_Head *gc = _Py_AS_GC(op); + _PyObject_ASSERT_FROM(op, + (gc->_gc_prev & _PyGC_PREV_MASK_COLLECTING) == 0, + "object is in generation which is garbage collected", + filename, lineno, "_PyObject_GC_TRACK"); + + PyGC_Head *last = (PyGC_Head*)(_PyRuntime.gc.generation0->_gc_prev); + _PyGCHead_SET_NEXT(last, gc); + _PyGCHead_SET_PREV(gc, last); + _PyGCHead_SET_NEXT(gc, _PyRuntime.gc.generation0); + _PyRuntime.gc.generation0->_gc_prev = (uintptr_t)gc; +} + +#define _PyObject_GC_TRACK(op) \ + _PyObject_GC_TRACK_impl(__FILE__, __LINE__, _PyObject_CAST(op)) + +/* Tell the GC to stop tracking this object. + * + * Internal note: This may be called while GC. So _PyGC_PREV_MASK_COLLECTING + * must be cleared. But _PyGC_PREV_MASK_FINALIZED bit is kept. + * + * The object must be tracked by the GC. + * + * The PyObject_GC_UnTrack() function is the public version of this macro. + */ +static inline void _PyObject_GC_UNTRACK_impl(const char *filename, int lineno, + PyObject *op) +{ + _PyObject_ASSERT_FROM(op, _PyObject_GC_IS_TRACKED(op), + "object not tracked by the garbage collector", + filename, lineno, "_PyObject_GC_UNTRACK"); + + PyGC_Head *gc = _Py_AS_GC(op); + PyGC_Head *prev = _PyGCHead_PREV(gc); + PyGC_Head *next = _PyGCHead_NEXT(gc); + _PyGCHead_SET_NEXT(prev, next); + _PyGCHead_SET_PREV(next, prev); + gc->_gc_next = 0; + gc->_gc_prev &= _PyGC_PREV_MASK_FINALIZED; +} + +#define _PyObject_GC_UNTRACK(op) \ + _PyObject_GC_UNTRACK_impl(__FILE__, __LINE__, _PyObject_CAST(op)) + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_OBJECT_H */ diff --git a/python-headers-win/Include/internal/pycore_pathconfig.h b/python-headers-win/Include/internal/pycore_pathconfig.h new file mode 100644 index 000000000..ce75ccee8 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_pathconfig.h @@ -0,0 +1,75 @@ +#ifndef Py_INTERNAL_PATHCONFIG_H +#define Py_INTERNAL_PATHCONFIG_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +typedef struct _PyPathConfig { + /* Full path to the Python program */ + wchar_t *program_full_path; + wchar_t *prefix; + wchar_t *exec_prefix; + /* Set by Py_SetPath(), or computed by _PyConfig_InitPathConfig() */ + wchar_t *module_search_path; + /* Python program name */ + wchar_t *program_name; + /* Set by Py_SetPythonHome() or PYTHONHOME environment variable */ + wchar_t *home; +#ifdef MS_WINDOWS + /* isolated and site_import are used to set Py_IsolatedFlag and + Py_NoSiteFlag flags on Windows in read_pth_file(). These fields + are ignored when their value are equal to -1 (unset). */ + int isolated; + int site_import; + /* Set when a venv is detected */ + wchar_t *base_executable; +#endif +} _PyPathConfig; + +#ifdef MS_WINDOWS +# define _PyPathConfig_INIT \ + {.module_search_path = NULL, \ + .isolated = -1, \ + .site_import = -1} +#else +# define _PyPathConfig_INIT \ + {.module_search_path = NULL} +#endif +/* Note: _PyPathConfig_INIT sets other fields to 0/NULL */ + +PyAPI_DATA(_PyPathConfig) _Py_path_config; +#ifdef MS_WINDOWS +PyAPI_DATA(wchar_t*) _Py_dll_path; +#endif + +extern void _PyPathConfig_ClearGlobal(void); +extern PyStatus _PyPathConfig_SetGlobal( + const struct _PyPathConfig *pathconfig); + +extern PyStatus _PyPathConfig_Calculate( + _PyPathConfig *pathconfig, + const PyConfig *config); +extern int _PyPathConfig_ComputeSysPath0( + const PyWideStringList *argv, + PyObject **path0); +extern int _Py_FindEnvConfigValue( + FILE *env_file, + const wchar_t *key, + wchar_t *value, + size_t value_size); + +#ifdef MS_WINDOWS +extern wchar_t* _Py_GetDLLPath(void); +#endif + +extern PyStatus _PyConfig_WritePathConfig(const PyConfig *config); +extern void _Py_DumpPathConfig(PyThreadState *tstate); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_PATHCONFIG_H */ diff --git a/python-headers-win/Include/internal/pycore_pyerrors.h b/python-headers-win/Include/internal/pycore_pyerrors.h new file mode 100644 index 000000000..23327ef78 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_pyerrors.h @@ -0,0 +1,62 @@ +#ifndef Py_INTERNAL_PYERRORS_H +#define Py_INTERNAL_PYERRORS_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +static inline PyObject* _PyErr_Occurred(PyThreadState *tstate) +{ + return tstate == NULL ? NULL : tstate->curexc_type; +} + + +PyAPI_FUNC(void) _PyErr_Fetch( + PyThreadState *tstate, + PyObject **type, + PyObject **value, + PyObject **traceback); + +PyAPI_FUNC(int) _PyErr_ExceptionMatches( + PyThreadState *tstate, + PyObject *exc); + +PyAPI_FUNC(void) _PyErr_Restore( + PyThreadState *tstate, + PyObject *type, + PyObject *value, + PyObject *traceback); + +PyAPI_FUNC(void) _PyErr_SetObject( + PyThreadState *tstate, + PyObject *type, + PyObject *value); + +PyAPI_FUNC(void) _PyErr_Clear(PyThreadState *tstate); + +PyAPI_FUNC(void) _PyErr_SetNone(PyThreadState *tstate, PyObject *exception); + +PyAPI_FUNC(void) _PyErr_SetString( + PyThreadState *tstate, + PyObject *exception, + const char *string); + +PyAPI_FUNC(PyObject *) _PyErr_Format( + PyThreadState *tstate, + PyObject *exception, + const char *format, + ...); + +PyAPI_FUNC(void) _PyErr_NormalizeException( + PyThreadState *tstate, + PyObject **exc, + PyObject **val, + PyObject **tb); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_PYERRORS_H */ diff --git a/python-headers-win/Include/internal/pycore_pyhash.h b/python-headers-win/Include/internal/pycore_pyhash.h new file mode 100644 index 000000000..a229f8d8b --- /dev/null +++ b/python-headers-win/Include/internal/pycore_pyhash.h @@ -0,0 +1,10 @@ +#ifndef Py_INTERNAL_HASH_H +#define Py_INTERNAL_HASH_H + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +uint64_t _Py_KeyedHash(uint64_t, const char *, Py_ssize_t); + +#endif diff --git a/python-headers-win/Include/internal/pycore_pylifecycle.h b/python-headers-win/Include/internal/pycore_pylifecycle.h new file mode 100644 index 000000000..d4f0ae2da --- /dev/null +++ b/python-headers-win/Include/internal/pycore_pylifecycle.h @@ -0,0 +1,116 @@ +#ifndef Py_INTERNAL_LIFECYCLE_H +#define Py_INTERNAL_LIFECYCLE_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "pycore_initconfig.h" /* _PyArgv */ +#include "pycore_pystate.h" /* _PyRuntimeState */ + +/* True if the main interpreter thread exited due to an unhandled + * KeyboardInterrupt exception, suggesting the user pressed ^C. */ +PyAPI_DATA(int) _Py_UnhandledKeyboardInterrupt; + +extern int _Py_SetFileSystemEncoding( + const char *encoding, + const char *errors); +extern void _Py_ClearFileSystemEncoding(void); +extern PyStatus _PyUnicode_InitEncodings(PyThreadState *tstate); +#ifdef MS_WINDOWS +extern int _PyUnicode_EnableLegacyWindowsFSEncoding(void); +#endif + +PyAPI_FUNC(void) _Py_ClearStandardStreamEncoding(void); + +PyAPI_FUNC(int) _Py_IsLocaleCoercionTarget(const char *ctype_loc); + +/* Various one-time initializers */ + +extern PyStatus _PyUnicode_Init(void); +extern int _PyStructSequence_Init(void); +extern int _PyLong_Init(void); +extern PyStatus _PyFaulthandler_Init(int enable); +extern int _PyTraceMalloc_Init(int enable); +extern PyObject * _PyBuiltin_Init(void); +extern PyStatus _PySys_Create( + _PyRuntimeState *runtime, + PyInterpreterState *interp, + PyObject **sysmod_p); +extern PyStatus _PySys_SetPreliminaryStderr(PyObject *sysdict); +extern PyStatus _PySys_ReadPreinitWarnOptions(PyWideStringList *options); +extern PyStatus _PySys_ReadPreinitXOptions(PyConfig *config); +extern int _PySys_InitMain( + _PyRuntimeState *runtime, + PyInterpreterState *interp); +extern PyStatus _PyImport_Init(PyInterpreterState *interp); +extern PyStatus _PyExc_Init(void); +extern PyStatus _PyErr_Init(void); +extern PyStatus _PyBuiltins_AddExceptions(PyObject * bltinmod); +extern PyStatus _PyImportHooks_Init(void); +extern int _PyFloat_Init(void); +extern PyStatus _Py_HashRandomization_Init(const PyConfig *); + +extern PyStatus _PyTypes_Init(void); +extern PyStatus _PyImportZip_Init(PyInterpreterState *interp); + + +/* Various internal finalizers */ + +extern void PyMethod_Fini(void); +extern void PyFrame_Fini(void); +extern void PyCFunction_Fini(void); +extern void PyDict_Fini(void); +extern void PyTuple_Fini(void); +extern void PyList_Fini(void); +extern void PySet_Fini(void); +extern void PyBytes_Fini(void); +extern void PyFloat_Fini(void); +extern void PyOS_FiniInterrupts(void); +extern void PySlice_Fini(void); +extern void PyAsyncGen_Fini(void); + +extern void _PyExc_Fini(void); +extern void _PyImport_Fini(void); +extern void _PyImport_Fini2(void); +extern void _PyGC_Fini(_PyRuntimeState *runtime); +extern void _PyType_Fini(void); +extern void _Py_HashRandomization_Fini(void); +extern void _PyUnicode_Fini(void); +extern void PyLong_Fini(void); +extern void _PyFaulthandler_Fini(void); +extern void _PyHash_Fini(void); +extern void _PyTraceMalloc_Fini(void); +extern void _PyWarnings_Fini(PyInterpreterState *interp); + +extern void _PyGILState_Init( + _PyRuntimeState *runtime, + PyInterpreterState *interp, + PyThreadState *tstate); +extern void _PyGILState_Fini(_PyRuntimeState *runtime); + +PyAPI_FUNC(void) _PyGC_DumpShutdownStats(_PyRuntimeState *runtime); + +PyAPI_FUNC(PyStatus) _Py_PreInitializeFromPyArgv( + const PyPreConfig *src_config, + const _PyArgv *args); +PyAPI_FUNC(PyStatus) _Py_PreInitializeFromConfig( + const PyConfig *config, + const _PyArgv *args); + + +PyAPI_FUNC(int) _Py_HandleSystemExit(int *exitcode_p); + +PyAPI_FUNC(PyObject*) _PyErr_WriteUnraisableDefaultHook(PyObject *unraisable); + +PyAPI_FUNC(void) _PyErr_Print(PyThreadState *tstate); +PyAPI_FUNC(void) _PyErr_Display(PyObject *file, PyObject *exception, + PyObject *value, PyObject *tb); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_LIFECYCLE_H */ diff --git a/python-headers-win/Include/internal/pycore_pymem.h b/python-headers-win/Include/internal/pycore_pymem.h new file mode 100644 index 000000000..47d092f3e --- /dev/null +++ b/python-headers-win/Include/internal/pycore_pymem.h @@ -0,0 +1,212 @@ +#ifndef Py_INTERNAL_PYMEM_H +#define Py_INTERNAL_PYMEM_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "objimpl.h" +#include "pymem.h" + + +/* GC runtime state */ + +/* If we change this, we need to change the default value in the + signature of gc.collect. */ +#define NUM_GENERATIONS 3 + +/* + NOTE: about the counting of long-lived objects. + + To limit the cost of garbage collection, there are two strategies; + - make each collection faster, e.g. by scanning fewer objects + - do less collections + This heuristic is about the latter strategy. + + In addition to the various configurable thresholds, we only trigger a + full collection if the ratio + long_lived_pending / long_lived_total + is above a given value (hardwired to 25%). + + The reason is that, while "non-full" collections (i.e., collections of + the young and middle generations) will always examine roughly the same + number of objects -- determined by the aforementioned thresholds --, + the cost of a full collection is proportional to the total number of + long-lived objects, which is virtually unbounded. + + Indeed, it has been remarked that doing a full collection every + of object creations entails a dramatic performance + degradation in workloads which consist in creating and storing lots of + long-lived objects (e.g. building a large list of GC-tracked objects would + show quadratic performance, instead of linear as expected: see issue #4074). + + Using the above ratio, instead, yields amortized linear performance in + the total number of objects (the effect of which can be summarized + thusly: "each full garbage collection is more and more costly as the + number of objects grows, but we do fewer and fewer of them"). + + This heuristic was suggested by Martin von Löwis on python-dev in + June 2008. His original analysis and proposal can be found at: + http://mail.python.org/pipermail/python-dev/2008-June/080579.html +*/ + +/* + NOTE: about untracking of mutable objects. + + Certain types of container cannot participate in a reference cycle, and + so do not need to be tracked by the garbage collector. Untracking these + objects reduces the cost of garbage collections. However, determining + which objects may be untracked is not free, and the costs must be + weighed against the benefits for garbage collection. + + There are two possible strategies for when to untrack a container: + + i) When the container is created. + ii) When the container is examined by the garbage collector. + + Tuples containing only immutable objects (integers, strings etc, and + recursively, tuples of immutable objects) do not need to be tracked. + The interpreter creates a large number of tuples, many of which will + not survive until garbage collection. It is therefore not worthwhile + to untrack eligible tuples at creation time. + + Instead, all tuples except the empty tuple are tracked when created. + During garbage collection it is determined whether any surviving tuples + can be untracked. A tuple can be untracked if all of its contents are + already not tracked. Tuples are examined for untracking in all garbage + collection cycles. It may take more than one cycle to untrack a tuple. + + Dictionaries containing only immutable objects also do not need to be + tracked. Dictionaries are untracked when created. If a tracked item is + inserted into a dictionary (either as a key or value), the dictionary + becomes tracked. During a full garbage collection (all generations), + the collector will untrack any dictionaries whose contents are not + tracked. + + The module provides the python function is_tracked(obj), which returns + the CURRENT tracking status of the object. Subsequent garbage + collections may change the tracking status of the object. + + Untracking of certain containers was introduced in issue #4688, and + the algorithm was refined in response to issue #14775. +*/ + +struct gc_generation { + PyGC_Head head; + int threshold; /* collection threshold */ + int count; /* count of allocations or collections of younger + generations */ +}; + +/* Running stats per generation */ +struct gc_generation_stats { + /* total number of collections */ + Py_ssize_t collections; + /* total number of collected objects */ + Py_ssize_t collected; + /* total number of uncollectable objects (put into gc.garbage) */ + Py_ssize_t uncollectable; +}; + +struct _gc_runtime_state { + /* List of objects that still need to be cleaned up, singly linked + * via their gc headers' gc_prev pointers. */ + PyObject *trash_delete_later; + /* Current call-stack depth of tp_dealloc calls. */ + int trash_delete_nesting; + + int enabled; + int debug; + /* linked lists of container objects */ + struct gc_generation generations[NUM_GENERATIONS]; + PyGC_Head *generation0; + /* a permanent generation which won't be collected */ + struct gc_generation permanent_generation; + struct gc_generation_stats generation_stats[NUM_GENERATIONS]; + /* true if we are currently running the collector */ + int collecting; + /* list of uncollectable objects */ + PyObject *garbage; + /* a list of callbacks to be invoked when collection is performed */ + PyObject *callbacks; + /* This is the number of objects that survived the last full + collection. It approximates the number of long lived objects + tracked by the GC. + + (by "full collection", we mean a collection of the oldest + generation). */ + Py_ssize_t long_lived_total; + /* This is the number of objects that survived all "non-full" + collections, and are awaiting to undergo a full collection for + the first time. */ + Py_ssize_t long_lived_pending; +}; + +PyAPI_FUNC(void) _PyGC_Initialize(struct _gc_runtime_state *); + + +/* Set the memory allocator of the specified domain to the default. + Save the old allocator into *old_alloc if it's non-NULL. + Return on success, or return -1 if the domain is unknown. */ +PyAPI_FUNC(int) _PyMem_SetDefaultAllocator( + PyMemAllocatorDomain domain, + PyMemAllocatorEx *old_alloc); + +/* Special bytes broadcast into debug memory blocks at appropriate times. + Strings of these are unlikely to be valid addresses, floats, ints or + 7-bit ASCII. + + - PYMEM_CLEANBYTE: clean (newly allocated) memory + - PYMEM_DEADBYTE dead (newly freed) memory + - PYMEM_FORBIDDENBYTE: untouchable bytes at each end of a block + + Byte patterns 0xCB, 0xDB and 0xFB have been replaced with 0xCD, 0xDD and + 0xFD to use the same values than Windows CRT debug malloc() and free(). + If modified, _PyMem_IsPtrFreed() should be updated as well. */ +#define PYMEM_CLEANBYTE 0xCD +#define PYMEM_DEADBYTE 0xDD +#define PYMEM_FORBIDDENBYTE 0xFD + +/* Heuristic checking if a pointer value is newly allocated + (uninitialized), newly freed or NULL (is equal to zero). + + The pointer is not dereferenced, only the pointer value is checked. + + The heuristic relies on the debug hooks on Python memory allocators which + fills newly allocated memory with CLEANBYTE (0xCD) and newly freed memory + with DEADBYTE (0xDD). Detect also "untouchable bytes" marked + with FORBIDDENBYTE (0xFD). */ +static inline int _PyMem_IsPtrFreed(void *ptr) +{ + uintptr_t value = (uintptr_t)ptr; +#if SIZEOF_VOID_P == 8 + return (value == 0 + || value == (uintptr_t)0xCDCDCDCDCDCDCDCD + || value == (uintptr_t)0xDDDDDDDDDDDDDDDD + || value == (uintptr_t)0xFDFDFDFDFDFDFDFD); +#elif SIZEOF_VOID_P == 4 + return (value == 0 + || value == (uintptr_t)0xCDCDCDCD + || value == (uintptr_t)0xDDDDDDDD + || value == (uintptr_t)0xFDFDFDFD); +#else +# error "unknown pointer size" +#endif +} + +PyAPI_FUNC(int) _PyMem_GetAllocatorName( + const char *name, + PyMemAllocatorName *allocator); + +/* Configure the Python memory allocators. + Pass PYMEM_ALLOCATOR_DEFAULT to use default allocators. + PYMEM_ALLOCATOR_NOT_SET does nothing. */ +PyAPI_FUNC(int) _PyMem_SetupAllocators(PyMemAllocatorName allocator); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_PYMEM_H */ diff --git a/python-headers-win/Include/internal/pycore_pystate.h b/python-headers-win/Include/internal/pycore_pystate.h new file mode 100644 index 000000000..f90e7e1ab --- /dev/null +++ b/python-headers-win/Include/internal/pycore_pystate.h @@ -0,0 +1,323 @@ +#ifndef Py_INTERNAL_PYSTATE_H +#define Py_INTERNAL_PYSTATE_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "cpython/initconfig.h" +#include "fileobject.h" +#include "pystate.h" +#include "pythread.h" +#include "sysmodule.h" + +#include "pycore_gil.h" /* _gil_runtime_state */ +#include "pycore_pathconfig.h" +#include "pycore_pymem.h" +#include "pycore_warnings.h" + + +/* ceval state */ + +struct _pending_calls { + int finishing; + PyThread_type_lock lock; + /* Request for running pending calls. */ + _Py_atomic_int calls_to_do; + /* Request for looking at the `async_exc` field of the current + thread state. + Guarded by the GIL. */ + int async_exc; +#define NPENDINGCALLS 32 + struct { + int (*func)(void *); + void *arg; + } calls[NPENDINGCALLS]; + int first; + int last; +}; + +struct _ceval_runtime_state { + int recursion_limit; + /* Records whether tracing is on for any thread. Counts the number + of threads for which tstate->c_tracefunc is non-NULL, so if the + value is 0, we know we don't have to check this thread's + c_tracefunc. This speeds up the if statement in + PyEval_EvalFrameEx() after fast_next_opcode. */ + int tracing_possible; + /* This single variable consolidates all requests to break out of + the fast path in the eval loop. */ + _Py_atomic_int eval_breaker; + /* Request for dropping the GIL */ + _Py_atomic_int gil_drop_request; + struct _pending_calls pending; + /* Request for checking signals. */ + _Py_atomic_int signals_pending; + struct _gil_runtime_state gil; +}; + +/* interpreter state */ + +typedef PyObject* (*_PyFrameEvalFunction)(struct _frame *, int); + +// The PyInterpreterState typedef is in Include/pystate.h. +struct _is { + + struct _is *next; + struct _ts *tstate_head; + + int64_t id; + int64_t id_refcount; + int requires_idref; + PyThread_type_lock id_mutex; + + int finalizing; + + PyObject *modules; + PyObject *modules_by_index; + PyObject *sysdict; + PyObject *builtins; + PyObject *importlib; + + /* Used in Python/sysmodule.c. */ + int check_interval; + + /* Used in Modules/_threadmodule.c. */ + long num_threads; + /* Support for runtime thread stack size tuning. + A value of 0 means using the platform's default stack size + or the size specified by the THREAD_STACK_SIZE macro. */ + /* Used in Python/thread.c. */ + size_t pythread_stacksize; + + PyObject *codec_search_path; + PyObject *codec_search_cache; + PyObject *codec_error_registry; + int codecs_initialized; + + /* fs_codec.encoding is initialized to NULL. + Later, it is set to a non-NULL string by _PyUnicode_InitEncodings(). */ + struct { + char *encoding; /* Filesystem encoding (encoded to UTF-8) */ + char *errors; /* Filesystem errors (encoded to UTF-8) */ + _Py_error_handler error_handler; + } fs_codec; + + PyConfig config; +#ifdef HAVE_DLOPEN + int dlopenflags; +#endif + + PyObject *dict; /* Stores per-interpreter state */ + + PyObject *builtins_copy; + PyObject *import_func; + /* Initialized to PyEval_EvalFrameDefault(). */ + _PyFrameEvalFunction eval_frame; + + Py_ssize_t co_extra_user_count; + freefunc co_extra_freefuncs[MAX_CO_EXTRA_USERS]; + +#ifdef HAVE_FORK + PyObject *before_forkers; + PyObject *after_forkers_parent; + PyObject *after_forkers_child; +#endif + /* AtExit module */ + void (*pyexitfunc)(PyObject *); + PyObject *pyexitmodule; + + uint64_t tstate_next_unique_id; + + struct _warnings_runtime_state warnings; + + PyObject *audit_hooks; +}; + +PyAPI_FUNC(struct _is*) _PyInterpreterState_LookUpID(PY_INT64_T); + +PyAPI_FUNC(int) _PyInterpreterState_IDInitref(struct _is *); +PyAPI_FUNC(void) _PyInterpreterState_IDIncref(struct _is *); +PyAPI_FUNC(void) _PyInterpreterState_IDDecref(struct _is *); + + +/* cross-interpreter data registry */ + +/* For now we use a global registry of shareable classes. An + alternative would be to add a tp_* slot for a class's + crossinterpdatafunc. It would be simpler and more efficient. */ + +struct _xidregitem; + +struct _xidregitem { + PyTypeObject *cls; + crossinterpdatafunc getdata; + struct _xidregitem *next; +}; + +/* runtime audit hook state */ + +typedef struct _Py_AuditHookEntry { + struct _Py_AuditHookEntry *next; + Py_AuditHookFunction hookCFunction; + void *userData; +} _Py_AuditHookEntry; + +/* GIL state */ + +struct _gilstate_runtime_state { + int check_enabled; + /* Assuming the current thread holds the GIL, this is the + PyThreadState for the current thread. */ + _Py_atomic_address tstate_current; + PyThreadFrameGetter getframe; + /* The single PyInterpreterState used by this process' + GILState implementation + */ + /* TODO: Given interp_main, it may be possible to kill this ref */ + PyInterpreterState *autoInterpreterState; + Py_tss_t autoTSSkey; +}; + +/* hook for PyEval_GetFrame(), requested for Psyco */ +#define _PyThreadState_GetFrame _PyRuntime.gilstate.getframe + +/* Issue #26558: Flag to disable PyGILState_Check(). + If set to non-zero, PyGILState_Check() always return 1. */ +#define _PyGILState_check_enabled _PyRuntime.gilstate.check_enabled + + +/* Full Python runtime state */ + +typedef struct pyruntimestate { + /* Is running Py_PreInitialize()? */ + int preinitializing; + + /* Is Python preinitialized? Set to 1 by Py_PreInitialize() */ + int preinitialized; + + /* Is Python core initialized? Set to 1 by _Py_InitializeCore() */ + int core_initialized; + + /* Is Python fully initialized? Set to 1 by Py_Initialize() */ + int initialized; + + /* Set by Py_FinalizeEx(). Only reset to NULL if Py_Initialize() + is called again. */ + PyThreadState *finalizing; + + struct pyinterpreters { + PyThread_type_lock mutex; + PyInterpreterState *head; + PyInterpreterState *main; + /* _next_interp_id is an auto-numbered sequence of small + integers. It gets initialized in _PyInterpreterState_Init(), + which is called in Py_Initialize(), and used in + PyInterpreterState_New(). A negative interpreter ID + indicates an error occurred. The main interpreter will + always have an ID of 0. Overflow results in a RuntimeError. + If that becomes a problem later then we can adjust, e.g. by + using a Python int. */ + int64_t next_id; + } interpreters; + // XXX Remove this field once we have a tp_* slot. + struct _xidregistry { + PyThread_type_lock mutex; + struct _xidregitem *head; + } xidregistry; + + unsigned long main_thread; + +#define NEXITFUNCS 32 + void (*exitfuncs[NEXITFUNCS])(void); + int nexitfuncs; + + struct _gc_runtime_state gc; + struct _ceval_runtime_state ceval; + struct _gilstate_runtime_state gilstate; + + PyPreConfig preconfig; + + Py_OpenCodeHookFunction open_code_hook; + void *open_code_userdata; + _Py_AuditHookEntry *audit_hook_head; + + // XXX Consolidate globals found via the check-c-globals script. +} _PyRuntimeState; + +#define _PyRuntimeState_INIT \ + {.preinitialized = 0, .core_initialized = 0, .initialized = 0} +/* Note: _PyRuntimeState_INIT sets other fields to 0/NULL */ + +PyAPI_DATA(_PyRuntimeState) _PyRuntime; +PyAPI_FUNC(PyStatus) _PyRuntimeState_Init(_PyRuntimeState *runtime); +PyAPI_FUNC(void) _PyRuntimeState_Fini(_PyRuntimeState *runtime); +PyAPI_FUNC(void) _PyRuntimeState_ReInitThreads(_PyRuntimeState *runtime); + +/* Initialize _PyRuntimeState. + Return NULL on success, or return an error message on failure. */ +PyAPI_FUNC(PyStatus) _PyRuntime_Initialize(void); + +PyAPI_FUNC(void) _PyRuntime_Finalize(void); + +#define _Py_CURRENTLY_FINALIZING(runtime, tstate) \ + (runtime->finalizing == tstate) + + +/* Variable and macro for in-line access to current thread + and interpreter state */ + +#define _PyRuntimeState_GetThreadState(runtime) \ + ((PyThreadState*)_Py_atomic_load_relaxed(&(runtime)->gilstate.tstate_current)) + +/* Get the current Python thread state. + + Efficient macro reading directly the 'gilstate.tstate_current' atomic + variable. The macro is unsafe: it does not check for error and it can + return NULL. + + The caller must hold the GIL. + + See also PyThreadState_Get() and PyThreadState_GET(). */ +#define _PyThreadState_GET() _PyRuntimeState_GetThreadState(&_PyRuntime) + +/* Redefine PyThreadState_GET() as an alias to _PyThreadState_GET() */ +#undef PyThreadState_GET +#define PyThreadState_GET() _PyThreadState_GET() + +/* Get the current interpreter state. + + The macro is unsafe: it does not check for error and it can return NULL. + + The caller must hold the GIL. + + See also _PyInterpreterState_Get() + and _PyGILState_GetInterpreterStateUnsafe(). */ +#define _PyInterpreterState_GET_UNSAFE() (_PyThreadState_GET()->interp) + + +/* Other */ + +PyAPI_FUNC(void) _PyThreadState_Init( + _PyRuntimeState *runtime, + PyThreadState *tstate); +PyAPI_FUNC(void) _PyThreadState_DeleteExcept( + _PyRuntimeState *runtime, + PyThreadState *tstate); + +PyAPI_FUNC(PyThreadState *) _PyThreadState_Swap( + struct _gilstate_runtime_state *gilstate, + PyThreadState *newts); + +PyAPI_FUNC(PyStatus) _PyInterpreterState_Enable(_PyRuntimeState *runtime); +PyAPI_FUNC(void) _PyInterpreterState_DeleteExceptMain(_PyRuntimeState *runtime); + +PyAPI_FUNC(void) _PyGILState_Reinit(_PyRuntimeState *runtime); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_PYSTATE_H */ diff --git a/python-headers-win/Include/internal/pycore_traceback.h b/python-headers-win/Include/internal/pycore_traceback.h new file mode 100644 index 000000000..bf4d7fe58 --- /dev/null +++ b/python-headers-win/Include/internal/pycore_traceback.h @@ -0,0 +1,96 @@ +#ifndef Py_INTERNAL_TRACEBACK_H +#define Py_INTERNAL_TRACEBACK_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "pystate.h" /* PyInterpreterState */ + +/* Write the Python traceback into the file 'fd'. For example: + + Traceback (most recent call first): + File "xxx", line xxx in + File "xxx", line xxx in + ... + File "xxx", line xxx in + + This function is written for debug purpose only, to dump the traceback in + the worst case: after a segmentation fault, at fatal error, etc. That's why, + it is very limited. Strings are truncated to 100 characters and encoded to + ASCII with backslashreplace. It doesn't write the source code, only the + function name, filename and line number of each frame. Write only the first + 100 frames: if the traceback is truncated, write the line " ...". + + This function is signal safe. */ + +PyAPI_FUNC(void) _Py_DumpTraceback( + int fd, + PyThreadState *tstate); + +/* Write the traceback of all threads into the file 'fd'. current_thread can be + NULL. + + Return NULL on success, or an error message on error. + + This function is written for debug purpose only. It calls + _Py_DumpTraceback() for each thread, and so has the same limitations. It + only write the traceback of the first 100 threads: write "..." if there are + more threads. + + If current_tstate is NULL, the function tries to get the Python thread state + of the current thread. It is not an error if the function is unable to get + the current Python thread state. + + If interp is NULL, the function tries to get the interpreter state from + the current Python thread state, or from + _PyGILState_GetInterpreterStateUnsafe() in last resort. + + It is better to pass NULL to interp and current_tstate, the function tries + different options to retrieve these informations. + + This function is signal safe. */ + +PyAPI_FUNC(const char*) _Py_DumpTracebackThreads( + int fd, + PyInterpreterState *interp, + PyThreadState *current_tstate); + +/* Write a Unicode object into the file descriptor fd. Encode the string to + ASCII using the backslashreplace error handler. + + Do nothing if text is not a Unicode object. The function accepts Unicode + string which is not ready (PyUnicode_WCHAR_KIND). + + This function is signal safe. */ +PyAPI_FUNC(void) _Py_DumpASCII(int fd, PyObject *text); + +/* Format an integer as decimal into the file descriptor fd. + + This function is signal safe. */ +PyAPI_FUNC(void) _Py_DumpDecimal( + int fd, + unsigned long value); + +/* Format an integer as hexadecimal into the file descriptor fd with at least + width digits. + + The maximum width is sizeof(unsigned long)*2 digits. + + This function is signal safe. */ +PyAPI_FUNC(void) _Py_DumpHexadecimal( + int fd, + unsigned long value, + Py_ssize_t width); + +PyAPI_FUNC(PyObject*) _PyTraceBack_FromFrame( + PyObject *tb_next, + struct _frame *frame); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_TRACEBACK_H */ diff --git a/python-headers-win/Include/internal/pycore_tupleobject.h b/python-headers-win/Include/internal/pycore_tupleobject.h new file mode 100644 index 000000000..9fcfc5c6e --- /dev/null +++ b/python-headers-win/Include/internal/pycore_tupleobject.h @@ -0,0 +1,19 @@ +#ifndef Py_INTERNAL_TUPLEOBJECT_H +#define Py_INTERNAL_TUPLEOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "tupleobject.h" + +#define _PyTuple_ITEMS(op) (_PyTuple_CAST(op)->ob_item) +PyAPI_FUNC(PyObject *) _PyTuple_FromArray(PyObject *const *, Py_ssize_t); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_TUPLEOBJECT_H */ diff --git a/python-headers-win/Include/internal/pycore_warnings.h b/python-headers-win/Include/internal/pycore_warnings.h new file mode 100644 index 000000000..73e5350af --- /dev/null +++ b/python-headers-win/Include/internal/pycore_warnings.h @@ -0,0 +1,25 @@ +#ifndef Py_INTERNAL_WARNINGS_H +#define Py_INTERNAL_WARNINGS_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_BUILD_CORE +# error "this header requires Py_BUILD_CORE define" +#endif + +#include "object.h" + +struct _warnings_runtime_state { + /* Both 'filters' and 'onceregistry' can be set in warnings.py; + get_warnings_attr() will reset these variables accordingly. */ + PyObject *filters; /* List */ + PyObject *once_registry; /* Dict */ + PyObject *default_action; /* String */ + long filters_version; +}; + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERNAL_WARNINGS_H */ diff --git a/python-headers-win/Include/interpreteridobject.h b/python-headers-win/Include/interpreteridobject.h new file mode 100644 index 000000000..e744fcdc9 --- /dev/null +++ b/python-headers-win/Include/interpreteridobject.h @@ -0,0 +1,17 @@ +#ifndef Py_INTERPRETERIDOBJECT_H +#define Py_INTERPRETERIDOBJECT_H + +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_INTERPRETERIDOBJECT_H +# include "cpython/interpreteridobject.h" +# undef Py_CPYTHON_INTERPRETERIDOBJECT_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTERPRETERIDOBJECT_H */ diff --git a/python-headers-win/Include/intrcheck.h b/python-headers-win/Include/intrcheck.h new file mode 100644 index 000000000..e5bf5a834 --- /dev/null +++ b/python-headers-win/Include/intrcheck.h @@ -0,0 +1,33 @@ + +#ifndef Py_INTRCHECK_H +#define Py_INTRCHECK_H +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_FUNC(int) PyOS_InterruptOccurred(void); +PyAPI_FUNC(void) PyOS_InitInterrupts(void); +#ifdef HAVE_FORK +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03070000 +PyAPI_FUNC(void) PyOS_BeforeFork(void); +PyAPI_FUNC(void) PyOS_AfterFork_Parent(void); +PyAPI_FUNC(void) PyOS_AfterFork_Child(void); +#endif +#endif +/* Deprecated, please use PyOS_AfterFork_Child() instead */ +Py_DEPRECATED(3.7) PyAPI_FUNC(void) PyOS_AfterFork(void); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) _PyOS_IsMainThread(void); +PyAPI_FUNC(void) _PySignal_AfterFork(void); + +#ifdef MS_WINDOWS +/* windows.h is not included by Python.h so use void* instead of HANDLE */ +PyAPI_FUNC(void*) _PyOS_SigintEvent(void); +#endif +#endif /* !Py_LIMITED_API */ + +#ifdef __cplusplus +} +#endif +#endif /* !Py_INTRCHECK_H */ diff --git a/python-headers-win/Include/iterobject.h b/python-headers-win/Include/iterobject.h new file mode 100644 index 000000000..f61726f1f --- /dev/null +++ b/python-headers-win/Include/iterobject.h @@ -0,0 +1,25 @@ +#ifndef Py_ITEROBJECT_H +#define Py_ITEROBJECT_H +/* Iterators (the basic kind, over a sequence) */ +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_DATA(PyTypeObject) PySeqIter_Type; +PyAPI_DATA(PyTypeObject) PyCallIter_Type; +PyAPI_DATA(PyTypeObject) PyCmpWrapper_Type; + +#define PySeqIter_Check(op) (Py_TYPE(op) == &PySeqIter_Type) + +PyAPI_FUNC(PyObject *) PySeqIter_New(PyObject *); + + +#define PyCallIter_Check(op) (Py_TYPE(op) == &PyCallIter_Type) + +PyAPI_FUNC(PyObject *) PyCallIter_New(PyObject *, PyObject *); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_ITEROBJECT_H */ + diff --git a/python-headers-win/Include/listobject.h b/python-headers-win/Include/listobject.h new file mode 100644 index 000000000..6057279d5 --- /dev/null +++ b/python-headers-win/Include/listobject.h @@ -0,0 +1,81 @@ + +/* List object interface */ + +/* +Another generally useful object type is a list of object pointers. +This is a mutable type: the list items can be changed, and items can be +added or removed. Out-of-range indices or non-list objects are ignored. + +*** WARNING *** PyList_SetItem does not increment the new item's reference +count, but does decrement the reference count of the item it replaces, +if not nil. It does *decrement* the reference count if it is *not* +inserted in the list. Similarly, PyList_GetItem does not increment the +returned item's reference count. +*/ + +#ifndef Py_LISTOBJECT_H +#define Py_LISTOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +typedef struct { + PyObject_VAR_HEAD + /* Vector of pointers to list elements. list[0] is ob_item[0], etc. */ + PyObject **ob_item; + + /* ob_item contains space for 'allocated' elements. The number + * currently in use is ob_size. + * Invariants: + * 0 <= ob_size <= allocated + * len(list) == ob_size + * ob_item == NULL implies ob_size == allocated == 0 + * list.sort() temporarily sets allocated to -1 to detect mutations. + * + * Items must normally not be NULL, except during construction when + * the list is not yet visible outside the function that builds it. + */ + Py_ssize_t allocated; +} PyListObject; +#endif + +PyAPI_DATA(PyTypeObject) PyList_Type; +PyAPI_DATA(PyTypeObject) PyListIter_Type; +PyAPI_DATA(PyTypeObject) PyListRevIter_Type; +PyAPI_DATA(PyTypeObject) PySortWrapper_Type; + +#define PyList_Check(op) \ + PyType_FastSubclass(Py_TYPE(op), Py_TPFLAGS_LIST_SUBCLASS) +#define PyList_CheckExact(op) (Py_TYPE(op) == &PyList_Type) + +PyAPI_FUNC(PyObject *) PyList_New(Py_ssize_t size); +PyAPI_FUNC(Py_ssize_t) PyList_Size(PyObject *); +PyAPI_FUNC(PyObject *) PyList_GetItem(PyObject *, Py_ssize_t); +PyAPI_FUNC(int) PyList_SetItem(PyObject *, Py_ssize_t, PyObject *); +PyAPI_FUNC(int) PyList_Insert(PyObject *, Py_ssize_t, PyObject *); +PyAPI_FUNC(int) PyList_Append(PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) PyList_GetSlice(PyObject *, Py_ssize_t, Py_ssize_t); +PyAPI_FUNC(int) PyList_SetSlice(PyObject *, Py_ssize_t, Py_ssize_t, PyObject *); +PyAPI_FUNC(int) PyList_Sort(PyObject *); +PyAPI_FUNC(int) PyList_Reverse(PyObject *); +PyAPI_FUNC(PyObject *) PyList_AsTuple(PyObject *); +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _PyList_Extend(PyListObject *, PyObject *); + +PyAPI_FUNC(int) PyList_ClearFreeList(void); +PyAPI_FUNC(void) _PyList_DebugMallocStats(FILE *out); +#endif + +/* Macro, trading safety for speed */ +#ifndef Py_LIMITED_API +#define PyList_GET_ITEM(op, i) (((PyListObject *)(op))->ob_item[i]) +#define PyList_SET_ITEM(op, i, v) (((PyListObject *)(op))->ob_item[i] = (v)) +#define PyList_GET_SIZE(op) (assert(PyList_Check(op)),Py_SIZE(op)) +#define _PyList_ITEMS(op) (((PyListObject *)(op))->ob_item) +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_LISTOBJECT_H */ diff --git a/python-headers-win/Include/longintrepr.h b/python-headers-win/Include/longintrepr.h new file mode 100644 index 000000000..ff4155f96 --- /dev/null +++ b/python-headers-win/Include/longintrepr.h @@ -0,0 +1,99 @@ +#ifndef Py_LIMITED_API +#ifndef Py_LONGINTREPR_H +#define Py_LONGINTREPR_H +#ifdef __cplusplus +extern "C" { +#endif + + +/* This is published for the benefit of "friends" marshal.c and _decimal.c. */ + +/* Parameters of the integer representation. There are two different + sets of parameters: one set for 30-bit digits, stored in an unsigned 32-bit + integer type, and one set for 15-bit digits with each digit stored in an + unsigned short. The value of PYLONG_BITS_IN_DIGIT, defined either at + configure time or in pyport.h, is used to decide which digit size to use. + + Type 'digit' should be able to hold 2*PyLong_BASE-1, and type 'twodigits' + should be an unsigned integer type able to hold all integers up to + PyLong_BASE*PyLong_BASE-1. x_sub assumes that 'digit' is an unsigned type, + and that overflow is handled by taking the result modulo 2**N for some N > + PyLong_SHIFT. The majority of the code doesn't care about the precise + value of PyLong_SHIFT, but there are some notable exceptions: + + - long_pow() requires that PyLong_SHIFT be divisible by 5 + + - PyLong_{As,From}ByteArray require that PyLong_SHIFT be at least 8 + + - long_hash() requires that PyLong_SHIFT is *strictly* less than the number + of bits in an unsigned long, as do the PyLong <-> long (or unsigned long) + conversion functions + + - the Python int <-> size_t/Py_ssize_t conversion functions expect that + PyLong_SHIFT is strictly less than the number of bits in a size_t + + - the marshal code currently expects that PyLong_SHIFT is a multiple of 15 + + - NSMALLNEGINTS and NSMALLPOSINTS should be small enough to fit in a single + digit; with the current values this forces PyLong_SHIFT >= 9 + + The values 15 and 30 should fit all of the above requirements, on any + platform. +*/ + +#if PYLONG_BITS_IN_DIGIT == 30 +typedef uint32_t digit; +typedef int32_t sdigit; /* signed variant of digit */ +typedef uint64_t twodigits; +typedef int64_t stwodigits; /* signed variant of twodigits */ +#define PyLong_SHIFT 30 +#define _PyLong_DECIMAL_SHIFT 9 /* max(e such that 10**e fits in a digit) */ +#define _PyLong_DECIMAL_BASE ((digit)1000000000) /* 10 ** DECIMAL_SHIFT */ +#elif PYLONG_BITS_IN_DIGIT == 15 +typedef unsigned short digit; +typedef short sdigit; /* signed variant of digit */ +typedef unsigned long twodigits; +typedef long stwodigits; /* signed variant of twodigits */ +#define PyLong_SHIFT 15 +#define _PyLong_DECIMAL_SHIFT 4 /* max(e such that 10**e fits in a digit) */ +#define _PyLong_DECIMAL_BASE ((digit)10000) /* 10 ** DECIMAL_SHIFT */ +#else +#error "PYLONG_BITS_IN_DIGIT should be 15 or 30" +#endif +#define PyLong_BASE ((digit)1 << PyLong_SHIFT) +#define PyLong_MASK ((digit)(PyLong_BASE - 1)) + +#if PyLong_SHIFT % 5 != 0 +#error "longobject.c requires that PyLong_SHIFT be divisible by 5" +#endif + +/* Long integer representation. + The absolute value of a number is equal to + SUM(for i=0 through abs(ob_size)-1) ob_digit[i] * 2**(SHIFT*i) + Negative numbers are represented with ob_size < 0; + zero is represented by ob_size == 0. + In a normalized number, ob_digit[abs(ob_size)-1] (the most significant + digit) is never zero. Also, in all cases, for all valid i, + 0 <= ob_digit[i] <= MASK. + The allocation function takes care of allocating extra memory + so that ob_digit[0] ... ob_digit[abs(ob_size)-1] are actually available. + + CAUTION: Generic code manipulating subtypes of PyVarObject has to + aware that ints abuse ob_size's sign bit. +*/ + +struct _longobject { + PyObject_VAR_HEAD + digit ob_digit[1]; +}; + +PyAPI_FUNC(PyLongObject *) _PyLong_New(Py_ssize_t); + +/* Return a copy of src. */ +PyAPI_FUNC(PyObject *) _PyLong_Copy(PyLongObject *src); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_LONGINTREPR_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/longobject.h b/python-headers-win/Include/longobject.h new file mode 100644 index 000000000..1e7a58d99 --- /dev/null +++ b/python-headers-win/Include/longobject.h @@ -0,0 +1,242 @@ +#ifndef Py_LONGOBJECT_H +#define Py_LONGOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + + +/* Long (arbitrary precision) integer object interface */ + +typedef struct _longobject PyLongObject; /* Revealed in longintrepr.h */ + +PyAPI_DATA(PyTypeObject) PyLong_Type; + +#define PyLong_Check(op) \ + PyType_FastSubclass(Py_TYPE(op), Py_TPFLAGS_LONG_SUBCLASS) +#define PyLong_CheckExact(op) (Py_TYPE(op) == &PyLong_Type) + +PyAPI_FUNC(PyObject *) PyLong_FromLong(long); +PyAPI_FUNC(PyObject *) PyLong_FromUnsignedLong(unsigned long); +PyAPI_FUNC(PyObject *) PyLong_FromSize_t(size_t); +PyAPI_FUNC(PyObject *) PyLong_FromSsize_t(Py_ssize_t); +PyAPI_FUNC(PyObject *) PyLong_FromDouble(double); +PyAPI_FUNC(long) PyLong_AsLong(PyObject *); +PyAPI_FUNC(long) PyLong_AsLongAndOverflow(PyObject *, int *); +PyAPI_FUNC(Py_ssize_t) PyLong_AsSsize_t(PyObject *); +PyAPI_FUNC(size_t) PyLong_AsSize_t(PyObject *); +PyAPI_FUNC(unsigned long) PyLong_AsUnsignedLong(PyObject *); +PyAPI_FUNC(unsigned long) PyLong_AsUnsignedLongMask(PyObject *); +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) _PyLong_AsInt(PyObject *); +#endif +PyAPI_FUNC(PyObject *) PyLong_GetInfo(void); + +/* It may be useful in the future. I've added it in the PyInt -> PyLong + cleanup to keep the extra information. [CH] */ +#define PyLong_AS_LONG(op) PyLong_AsLong(op) + +/* Issue #1983: pid_t can be longer than a C long on some systems */ +#if !defined(SIZEOF_PID_T) || SIZEOF_PID_T == SIZEOF_INT +#define _Py_PARSE_PID "i" +#define PyLong_FromPid PyLong_FromLong +#define PyLong_AsPid PyLong_AsLong +#elif SIZEOF_PID_T == SIZEOF_LONG +#define _Py_PARSE_PID "l" +#define PyLong_FromPid PyLong_FromLong +#define PyLong_AsPid PyLong_AsLong +#elif defined(SIZEOF_LONG_LONG) && SIZEOF_PID_T == SIZEOF_LONG_LONG +#define _Py_PARSE_PID "L" +#define PyLong_FromPid PyLong_FromLongLong +#define PyLong_AsPid PyLong_AsLongLong +#else +#error "sizeof(pid_t) is neither sizeof(int), sizeof(long) or sizeof(long long)" +#endif /* SIZEOF_PID_T */ + +#if SIZEOF_VOID_P == SIZEOF_INT +# define _Py_PARSE_INTPTR "i" +# define _Py_PARSE_UINTPTR "I" +#elif SIZEOF_VOID_P == SIZEOF_LONG +# define _Py_PARSE_INTPTR "l" +# define _Py_PARSE_UINTPTR "k" +#elif defined(SIZEOF_LONG_LONG) && SIZEOF_VOID_P == SIZEOF_LONG_LONG +# define _Py_PARSE_INTPTR "L" +# define _Py_PARSE_UINTPTR "K" +#else +# error "void* different in size from int, long and long long" +#endif /* SIZEOF_VOID_P */ + +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) _PyLong_UnsignedShort_Converter(PyObject *, void *); +PyAPI_FUNC(int) _PyLong_UnsignedInt_Converter(PyObject *, void *); +PyAPI_FUNC(int) _PyLong_UnsignedLong_Converter(PyObject *, void *); +PyAPI_FUNC(int) _PyLong_UnsignedLongLong_Converter(PyObject *, void *); +PyAPI_FUNC(int) _PyLong_Size_t_Converter(PyObject *, void *); +#endif + +/* Used by Python/mystrtoul.c, _PyBytes_FromHex(), + _PyBytes_DecodeEscapeRecode(), etc. */ +#ifndef Py_LIMITED_API +PyAPI_DATA(unsigned char) _PyLong_DigitValue[256]; +#endif + +/* _PyLong_Frexp returns a double x and an exponent e such that the + true value is approximately equal to x * 2**e. e is >= 0. x is + 0.0 if and only if the input is 0 (in which case, e and x are both + zeroes); otherwise, 0.5 <= abs(x) < 1.0. On overflow, which is + possible if the number of bits doesn't fit into a Py_ssize_t, sets + OverflowError and returns -1.0 for x, 0 for e. */ +#ifndef Py_LIMITED_API +PyAPI_FUNC(double) _PyLong_Frexp(PyLongObject *a, Py_ssize_t *e); +#endif + +PyAPI_FUNC(double) PyLong_AsDouble(PyObject *); +PyAPI_FUNC(PyObject *) PyLong_FromVoidPtr(void *); +PyAPI_FUNC(void *) PyLong_AsVoidPtr(PyObject *); + +PyAPI_FUNC(PyObject *) PyLong_FromLongLong(long long); +PyAPI_FUNC(PyObject *) PyLong_FromUnsignedLongLong(unsigned long long); +PyAPI_FUNC(long long) PyLong_AsLongLong(PyObject *); +PyAPI_FUNC(unsigned long long) PyLong_AsUnsignedLongLong(PyObject *); +PyAPI_FUNC(unsigned long long) PyLong_AsUnsignedLongLongMask(PyObject *); +PyAPI_FUNC(long long) PyLong_AsLongLongAndOverflow(PyObject *, int *); + +PyAPI_FUNC(PyObject *) PyLong_FromString(const char *, char **, int); +#ifndef Py_LIMITED_API +Py_DEPRECATED(3.3) +PyAPI_FUNC(PyObject *) PyLong_FromUnicode(Py_UNICODE*, Py_ssize_t, int); +PyAPI_FUNC(PyObject *) PyLong_FromUnicodeObject(PyObject *u, int base); +PyAPI_FUNC(PyObject *) _PyLong_FromBytes(const char *, Py_ssize_t, int); +#endif + +#ifndef Py_LIMITED_API +/* _PyLong_Sign. Return 0 if v is 0, -1 if v < 0, +1 if v > 0. + v must not be NULL, and must be a normalized long. + There are no error cases. +*/ +PyAPI_FUNC(int) _PyLong_Sign(PyObject *v); + + +/* _PyLong_NumBits. Return the number of bits needed to represent the + absolute value of a long. For example, this returns 1 for 1 and -1, 2 + for 2 and -2, and 2 for 3 and -3. It returns 0 for 0. + v must not be NULL, and must be a normalized long. + (size_t)-1 is returned and OverflowError set if the true result doesn't + fit in a size_t. +*/ +PyAPI_FUNC(size_t) _PyLong_NumBits(PyObject *v); + +/* _PyLong_DivmodNear. Given integers a and b, compute the nearest + integer q to the exact quotient a / b, rounding to the nearest even integer + in the case of a tie. Return (q, r), where r = a - q*b. The remainder r + will satisfy abs(r) <= abs(b)/2, with equality possible only if q is + even. +*/ +PyAPI_FUNC(PyObject *) _PyLong_DivmodNear(PyObject *, PyObject *); + +/* _PyLong_FromByteArray: View the n unsigned bytes as a binary integer in + base 256, and return a Python int with the same numeric value. + If n is 0, the integer is 0. Else: + If little_endian is 1/true, bytes[n-1] is the MSB and bytes[0] the LSB; + else (little_endian is 0/false) bytes[0] is the MSB and bytes[n-1] the + LSB. + If is_signed is 0/false, view the bytes as a non-negative integer. + If is_signed is 1/true, view the bytes as a 2's-complement integer, + non-negative if bit 0x80 of the MSB is clear, negative if set. + Error returns: + + Return NULL with the appropriate exception set if there's not + enough memory to create the Python int. +*/ +PyAPI_FUNC(PyObject *) _PyLong_FromByteArray( + const unsigned char* bytes, size_t n, + int little_endian, int is_signed); + +/* _PyLong_AsByteArray: Convert the least-significant 8*n bits of long + v to a base-256 integer, stored in array bytes. Normally return 0, + return -1 on error. + If little_endian is 1/true, store the MSB at bytes[n-1] and the LSB at + bytes[0]; else (little_endian is 0/false) store the MSB at bytes[0] and + the LSB at bytes[n-1]. + If is_signed is 0/false, it's an error if v < 0; else (v >= 0) n bytes + are filled and there's nothing special about bit 0x80 of the MSB. + If is_signed is 1/true, bytes is filled with the 2's-complement + representation of v's value. Bit 0x80 of the MSB is the sign bit. + Error returns (-1): + + is_signed is 0 and v < 0. TypeError is set in this case, and bytes + isn't altered. + + n isn't big enough to hold the full mathematical value of v. For + example, if is_signed is 0 and there are more digits in the v than + fit in n; or if is_signed is 1, v < 0, and n is just 1 bit shy of + being large enough to hold a sign bit. OverflowError is set in this + case, but bytes holds the least-significant n bytes of the true value. +*/ +PyAPI_FUNC(int) _PyLong_AsByteArray(PyLongObject* v, + unsigned char* bytes, size_t n, + int little_endian, int is_signed); + +/* _PyLong_FromNbInt: Convert the given object to a PyLongObject + using the nb_int slot, if available. Raise TypeError if either the + nb_int slot is not available or the result of the call to nb_int + returns something not of type int. +*/ +PyAPI_FUNC(PyObject *) _PyLong_FromNbInt(PyObject *); + +/* Convert the given object to a PyLongObject using the nb_index or + nb_int slots, if available (the latter is deprecated). + Raise TypeError if either nb_index and nb_int slots are not + available or the result of the call to nb_index or nb_int + returns something not of type int. + Should be replaced with PyNumber_Index after the end of the + deprecation period. +*/ +PyAPI_FUNC(PyObject *) _PyLong_FromNbIndexOrNbInt(PyObject *); + +/* _PyLong_Format: Convert the long to a string object with given base, + appending a base prefix of 0[box] if base is 2, 8 or 16. */ +PyAPI_FUNC(PyObject *) _PyLong_Format(PyObject *obj, int base); + +PyAPI_FUNC(int) _PyLong_FormatWriter( + _PyUnicodeWriter *writer, + PyObject *obj, + int base, + int alternate); + +PyAPI_FUNC(char*) _PyLong_FormatBytesWriter( + _PyBytesWriter *writer, + char *str, + PyObject *obj, + int base, + int alternate); + +/* Format the object based on the format_spec, as defined in PEP 3101 + (Advanced String Formatting). */ +PyAPI_FUNC(int) _PyLong_FormatAdvancedWriter( + _PyUnicodeWriter *writer, + PyObject *obj, + PyObject *format_spec, + Py_ssize_t start, + Py_ssize_t end); +#endif /* Py_LIMITED_API */ + +/* These aren't really part of the int object, but they're handy. The + functions are in Python/mystrtoul.c. + */ +PyAPI_FUNC(unsigned long) PyOS_strtoul(const char *, char **, int); +PyAPI_FUNC(long) PyOS_strtol(const char *, char **, int); + +#ifndef Py_LIMITED_API +/* For use by the gcd function in mathmodule.c */ +PyAPI_FUNC(PyObject *) _PyLong_GCD(PyObject *, PyObject *); +#endif /* !Py_LIMITED_API */ + +#ifndef Py_LIMITED_API +PyAPI_DATA(PyObject *) _PyLong_Zero; +PyAPI_DATA(PyObject *) _PyLong_One; + +PyAPI_FUNC(PyObject *) _PyLong_Rshift(PyObject *, size_t); +PyAPI_FUNC(PyObject *) _PyLong_Lshift(PyObject *, size_t); +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_LONGOBJECT_H */ diff --git a/python-headers-win/Include/marshal.h b/python-headers-win/Include/marshal.h new file mode 100644 index 000000000..09d9337e5 --- /dev/null +++ b/python-headers-win/Include/marshal.h @@ -0,0 +1,28 @@ + +/* Interface for marshal.c */ + +#ifndef Py_MARSHAL_H +#define Py_MARSHAL_H +#ifdef __cplusplus +extern "C" { +#endif + +#define Py_MARSHAL_VERSION 4 + +PyAPI_FUNC(void) PyMarshal_WriteLongToFile(long, FILE *, int); +PyAPI_FUNC(void) PyMarshal_WriteObjectToFile(PyObject *, FILE *, int); +PyAPI_FUNC(PyObject *) PyMarshal_WriteObjectToString(PyObject *, int); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(long) PyMarshal_ReadLongFromFile(FILE *); +PyAPI_FUNC(int) PyMarshal_ReadShortFromFile(FILE *); +PyAPI_FUNC(PyObject *) PyMarshal_ReadObjectFromFile(FILE *); +PyAPI_FUNC(PyObject *) PyMarshal_ReadLastObjectFromFile(FILE *); +#endif +PyAPI_FUNC(PyObject *) PyMarshal_ReadObjectFromString(const char *, + Py_ssize_t); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_MARSHAL_H */ diff --git a/python-headers-win/Include/memoryobject.h b/python-headers-win/Include/memoryobject.h new file mode 100644 index 000000000..990a716f2 --- /dev/null +++ b/python-headers-win/Include/memoryobject.h @@ -0,0 +1,72 @@ +/* Memory view object. In Python this is available as "memoryview". */ + +#ifndef Py_MEMORYOBJECT_H +#define Py_MEMORYOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +PyAPI_DATA(PyTypeObject) _PyManagedBuffer_Type; +#endif +PyAPI_DATA(PyTypeObject) PyMemoryView_Type; + +#define PyMemoryView_Check(op) (Py_TYPE(op) == &PyMemoryView_Type) + +#ifndef Py_LIMITED_API +/* Get a pointer to the memoryview's private copy of the exporter's buffer. */ +#define PyMemoryView_GET_BUFFER(op) (&((PyMemoryViewObject *)(op))->view) +/* Get a pointer to the exporting object (this may be NULL!). */ +#define PyMemoryView_GET_BASE(op) (((PyMemoryViewObject *)(op))->view.obj) +#endif + +PyAPI_FUNC(PyObject *) PyMemoryView_FromObject(PyObject *base); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject *) PyMemoryView_FromMemory(char *mem, Py_ssize_t size, + int flags); +#endif +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) PyMemoryView_FromBuffer(Py_buffer *info); +#endif +PyAPI_FUNC(PyObject *) PyMemoryView_GetContiguous(PyObject *base, + int buffertype, + char order); + + +/* The structs are declared here so that macros can work, but they shouldn't + be considered public. Don't access their fields directly, use the macros + and functions instead! */ +#ifndef Py_LIMITED_API +#define _Py_MANAGED_BUFFER_RELEASED 0x001 /* access to exporter blocked */ +#define _Py_MANAGED_BUFFER_FREE_FORMAT 0x002 /* free format */ +typedef struct { + PyObject_HEAD + int flags; /* state flags */ + Py_ssize_t exports; /* number of direct memoryview exports */ + Py_buffer master; /* snapshot buffer obtained from the original exporter */ +} _PyManagedBufferObject; + + +/* memoryview state flags */ +#define _Py_MEMORYVIEW_RELEASED 0x001 /* access to master buffer blocked */ +#define _Py_MEMORYVIEW_C 0x002 /* C-contiguous layout */ +#define _Py_MEMORYVIEW_FORTRAN 0x004 /* Fortran contiguous layout */ +#define _Py_MEMORYVIEW_SCALAR 0x008 /* scalar: ndim = 0 */ +#define _Py_MEMORYVIEW_PIL 0x010 /* PIL-style layout */ + +typedef struct { + PyObject_VAR_HEAD + _PyManagedBufferObject *mbuf; /* managed buffer */ + Py_hash_t hash; /* hash value for read-only views */ + int flags; /* state flags */ + Py_ssize_t exports; /* number of buffer re-exports */ + Py_buffer view; /* private copy of the exporter's view */ + PyObject *weakreflist; + Py_ssize_t ob_array[1]; /* shape, strides, suboffsets */ +} PyMemoryViewObject; +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_MEMORYOBJECT_H */ diff --git a/python-headers-win/Include/methodobject.h b/python-headers-win/Include/methodobject.h new file mode 100644 index 000000000..ba3b8878a --- /dev/null +++ b/python-headers-win/Include/methodobject.h @@ -0,0 +1,131 @@ + +/* Method object interface */ + +#ifndef Py_METHODOBJECT_H +#define Py_METHODOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +/* This is about the type 'builtin_function_or_method', + not Python methods in user-defined classes. See classobject.h + for the latter. */ + +PyAPI_DATA(PyTypeObject) PyCFunction_Type; + +#define PyCFunction_Check(op) (Py_TYPE(op) == &PyCFunction_Type) + +typedef PyObject *(*PyCFunction)(PyObject *, PyObject *); +typedef PyObject *(*_PyCFunctionFast) (PyObject *, PyObject *const *, Py_ssize_t); +typedef PyObject *(*PyCFunctionWithKeywords)(PyObject *, PyObject *, + PyObject *); +typedef PyObject *(*_PyCFunctionFastWithKeywords) (PyObject *, + PyObject *const *, Py_ssize_t, + PyObject *); +typedef PyObject *(*PyNoArgsFunction)(PyObject *); + +PyAPI_FUNC(PyCFunction) PyCFunction_GetFunction(PyObject *); +PyAPI_FUNC(PyObject *) PyCFunction_GetSelf(PyObject *); +PyAPI_FUNC(int) PyCFunction_GetFlags(PyObject *); + +/* Macros for direct access to these values. Type checks are *not* + done, so use with care. */ +#ifndef Py_LIMITED_API +#define PyCFunction_GET_FUNCTION(func) \ + (((PyCFunctionObject *)func) -> m_ml -> ml_meth) +#define PyCFunction_GET_SELF(func) \ + (((PyCFunctionObject *)func) -> m_ml -> ml_flags & METH_STATIC ? \ + NULL : ((PyCFunctionObject *)func) -> m_self) +#define PyCFunction_GET_FLAGS(func) \ + (((PyCFunctionObject *)func) -> m_ml -> ml_flags) +#endif +PyAPI_FUNC(PyObject *) PyCFunction_Call(PyObject *, PyObject *, PyObject *); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _PyCFunction_FastCallDict(PyObject *func, + PyObject *const *args, + Py_ssize_t nargs, + PyObject *kwargs); +#endif + +struct PyMethodDef { + const char *ml_name; /* The name of the built-in function/method */ + PyCFunction ml_meth; /* The C function that implements it */ + int ml_flags; /* Combination of METH_xxx flags, which mostly + describe the args expected by the C func */ + const char *ml_doc; /* The __doc__ attribute, or NULL */ +}; +typedef struct PyMethodDef PyMethodDef; + +#define PyCFunction_New(ML, SELF) PyCFunction_NewEx((ML), (SELF), NULL) +PyAPI_FUNC(PyObject *) PyCFunction_NewEx(PyMethodDef *, PyObject *, + PyObject *); + +/* Flag passed to newmethodobject */ +/* #define METH_OLDARGS 0x0000 -- unsupported now */ +#define METH_VARARGS 0x0001 +#define METH_KEYWORDS 0x0002 +/* METH_NOARGS and METH_O must not be combined with the flags above. */ +#define METH_NOARGS 0x0004 +#define METH_O 0x0008 + +/* METH_CLASS and METH_STATIC are a little different; these control + the construction of methods for a class. These cannot be used for + functions in modules. */ +#define METH_CLASS 0x0010 +#define METH_STATIC 0x0020 + +/* METH_COEXIST allows a method to be entered even though a slot has + already filled the entry. When defined, the flag allows a separate + method, "__contains__" for example, to coexist with a defined + slot like sq_contains. */ + +#define METH_COEXIST 0x0040 + +#ifndef Py_LIMITED_API +#define METH_FASTCALL 0x0080 +#endif + +/* This bit is preserved for Stackless Python */ +#ifdef STACKLESS +#define METH_STACKLESS 0x0100 +#else +#define METH_STACKLESS 0x0000 +#endif + +#ifndef Py_LIMITED_API +typedef struct { + PyObject_HEAD + PyMethodDef *m_ml; /* Description of the C function to call */ + PyObject *m_self; /* Passed as 'self' arg to the C func, can be NULL */ + PyObject *m_module; /* The __module__ attribute, can be anything */ + PyObject *m_weakreflist; /* List of weak references */ + vectorcallfunc vectorcall; +} PyCFunctionObject; + +PyAPI_FUNC(PyObject *) _PyMethodDef_RawFastCallDict( + PyMethodDef *method, + PyObject *self, + PyObject *const *args, + Py_ssize_t nargs, + PyObject *kwargs); + +PyAPI_FUNC(PyObject *) _PyMethodDef_RawFastCallKeywords( + PyMethodDef *method, + PyObject *self, + PyObject *const *args, + Py_ssize_t nargs, + PyObject *kwnames); +#endif + +PyAPI_FUNC(int) PyCFunction_ClearFreeList(void); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(void) _PyCFunction_DebugMallocStats(FILE *out); +PyAPI_FUNC(void) _PyMethod_DebugMallocStats(FILE *out); +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_METHODOBJECT_H */ diff --git a/python-headers-win/Include/modsupport.h b/python-headers-win/Include/modsupport.h new file mode 100644 index 000000000..f90ede483 --- /dev/null +++ b/python-headers-win/Include/modsupport.h @@ -0,0 +1,248 @@ + +#ifndef Py_MODSUPPORT_H +#define Py_MODSUPPORT_H +#ifdef __cplusplus +extern "C" { +#endif + +/* Module support interface */ + +#include + +/* If PY_SSIZE_T_CLEAN is defined, each functions treats #-specifier + to mean Py_ssize_t */ +#ifdef PY_SSIZE_T_CLEAN +#define PyArg_Parse _PyArg_Parse_SizeT +#define PyArg_ParseTuple _PyArg_ParseTuple_SizeT +#define PyArg_ParseTupleAndKeywords _PyArg_ParseTupleAndKeywords_SizeT +#define PyArg_VaParse _PyArg_VaParse_SizeT +#define PyArg_VaParseTupleAndKeywords _PyArg_VaParseTupleAndKeywords_SizeT +#define Py_BuildValue _Py_BuildValue_SizeT +#define Py_VaBuildValue _Py_VaBuildValue_SizeT +#ifndef Py_LIMITED_API +#define _Py_VaBuildStack _Py_VaBuildStack_SizeT +#endif +#else +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _Py_VaBuildValue_SizeT(const char *, va_list); +PyAPI_FUNC(PyObject **) _Py_VaBuildStack_SizeT( + PyObject **small_stack, + Py_ssize_t small_stack_len, + const char *format, + va_list va, + Py_ssize_t *p_nargs); +#endif /* !Py_LIMITED_API */ +#endif + +/* Due to a glitch in 3.2, the _SizeT versions weren't exported from the DLL. */ +#if !defined(PY_SSIZE_T_CLEAN) || !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(int) PyArg_Parse(PyObject *, const char *, ...); +PyAPI_FUNC(int) PyArg_ParseTuple(PyObject *, const char *, ...); +PyAPI_FUNC(int) PyArg_ParseTupleAndKeywords(PyObject *, PyObject *, + const char *, char **, ...); +PyAPI_FUNC(int) PyArg_VaParse(PyObject *, const char *, va_list); +PyAPI_FUNC(int) PyArg_VaParseTupleAndKeywords(PyObject *, PyObject *, + const char *, char **, va_list); +#endif +PyAPI_FUNC(int) PyArg_ValidateKeywordArguments(PyObject *); +PyAPI_FUNC(int) PyArg_UnpackTuple(PyObject *, const char *, Py_ssize_t, Py_ssize_t, ...); +PyAPI_FUNC(PyObject *) Py_BuildValue(const char *, ...); +PyAPI_FUNC(PyObject *) _Py_BuildValue_SizeT(const char *, ...); + + +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) _PyArg_UnpackStack( + PyObject *const *args, + Py_ssize_t nargs, + const char *name, + Py_ssize_t min, + Py_ssize_t max, + ...); + +PyAPI_FUNC(int) _PyArg_NoKeywords(const char *funcname, PyObject *kwargs); +PyAPI_FUNC(int) _PyArg_NoPositional(const char *funcname, PyObject *args); +#define _PyArg_NoKeywords(funcname, kwargs) \ + ((kwargs) == NULL || _PyArg_NoKeywords((funcname), (kwargs))) +#define _PyArg_NoPositional(funcname, args) \ + ((args) == NULL || _PyArg_NoPositional((funcname), (args))) + +PyAPI_FUNC(void) _PyArg_BadArgument(const char *, const char *, const char *, PyObject *); +PyAPI_FUNC(int) _PyArg_CheckPositional(const char *, Py_ssize_t, + Py_ssize_t, Py_ssize_t); +#define _PyArg_CheckPositional(funcname, nargs, min, max) \ + (((min) <= (nargs) && (nargs) <= (max)) \ + || _PyArg_CheckPositional((funcname), (nargs), (min), (max))) + +#endif + +PyAPI_FUNC(PyObject *) Py_VaBuildValue(const char *, va_list); +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject **) _Py_VaBuildStack( + PyObject **small_stack, + Py_ssize_t small_stack_len, + const char *format, + va_list va, + Py_ssize_t *p_nargs); +#endif + +#ifndef Py_LIMITED_API +typedef struct _PyArg_Parser { + const char *format; + const char * const *keywords; + const char *fname; + const char *custom_msg; + int pos; /* number of positional-only arguments */ + int min; /* minimal number of arguments */ + int max; /* maximal number of positional arguments */ + PyObject *kwtuple; /* tuple of keyword parameter names */ + struct _PyArg_Parser *next; +} _PyArg_Parser; +#ifdef PY_SSIZE_T_CLEAN +#define _PyArg_ParseTupleAndKeywordsFast _PyArg_ParseTupleAndKeywordsFast_SizeT +#define _PyArg_ParseStack _PyArg_ParseStack_SizeT +#define _PyArg_ParseStackAndKeywords _PyArg_ParseStackAndKeywords_SizeT +#define _PyArg_VaParseTupleAndKeywordsFast _PyArg_VaParseTupleAndKeywordsFast_SizeT +#endif +PyAPI_FUNC(int) _PyArg_ParseTupleAndKeywordsFast(PyObject *, PyObject *, + struct _PyArg_Parser *, ...); +PyAPI_FUNC(int) _PyArg_ParseStack( + PyObject *const *args, + Py_ssize_t nargs, + const char *format, + ...); +PyAPI_FUNC(int) _PyArg_ParseStackAndKeywords( + PyObject *const *args, + Py_ssize_t nargs, + PyObject *kwnames, + struct _PyArg_Parser *, + ...); +PyAPI_FUNC(int) _PyArg_VaParseTupleAndKeywordsFast(PyObject *, PyObject *, + struct _PyArg_Parser *, va_list); +PyAPI_FUNC(PyObject * const *) _PyArg_UnpackKeywords( + PyObject *const *args, Py_ssize_t nargs, + PyObject *kwargs, PyObject *kwnames, + struct _PyArg_Parser *parser, + int minpos, int maxpos, int minkw, + PyObject **buf); +#define _PyArg_UnpackKeywords(args, nargs, kwargs, kwnames, parser, minpos, maxpos, minkw, buf) \ + (((minkw) == 0 && (kwargs) == NULL && (kwnames) == NULL && \ + (minpos) <= (nargs) && (nargs) <= (maxpos) && args != NULL) ? (args) : \ + _PyArg_UnpackKeywords((args), (nargs), (kwargs), (kwnames), (parser), \ + (minpos), (maxpos), (minkw), (buf))) + +void _PyArg_Fini(void); +#endif /* Py_LIMITED_API */ + +PyAPI_FUNC(int) PyModule_AddObject(PyObject *, const char *, PyObject *); +PyAPI_FUNC(int) PyModule_AddIntConstant(PyObject *, const char *, long); +PyAPI_FUNC(int) PyModule_AddStringConstant(PyObject *, const char *, const char *); +#define PyModule_AddIntMacro(m, c) PyModule_AddIntConstant(m, #c, c) +#define PyModule_AddStringMacro(m, c) PyModule_AddStringConstant(m, #c, c) + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +/* New in 3.5 */ +PyAPI_FUNC(int) PyModule_SetDocString(PyObject *, const char *); +PyAPI_FUNC(int) PyModule_AddFunctions(PyObject *, PyMethodDef *); +PyAPI_FUNC(int) PyModule_ExecDef(PyObject *module, PyModuleDef *def); +#endif + +#define Py_CLEANUP_SUPPORTED 0x20000 + +#define PYTHON_API_VERSION 1013 +#define PYTHON_API_STRING "1013" +/* The API version is maintained (independently from the Python version) + so we can detect mismatches between the interpreter and dynamically + loaded modules. These are diagnosed by an error message but + the module is still loaded (because the mismatch can only be tested + after loading the module). The error message is intended to + explain the core dump a few seconds later. + + The symbol PYTHON_API_STRING defines the same value as a string + literal. *** PLEASE MAKE SURE THE DEFINITIONS MATCH. *** + + Please add a line or two to the top of this log for each API + version change: + + 22-Feb-2006 MvL 1013 PEP 353 - long indices for sequence lengths + + 19-Aug-2002 GvR 1012 Changes to string object struct for + interning changes, saving 3 bytes. + + 17-Jul-2001 GvR 1011 Descr-branch, just to be on the safe side + + 25-Jan-2001 FLD 1010 Parameters added to PyCode_New() and + PyFrame_New(); Python 2.1a2 + + 14-Mar-2000 GvR 1009 Unicode API added + + 3-Jan-1999 GvR 1007 Decided to change back! (Don't reuse 1008!) + + 3-Dec-1998 GvR 1008 Python 1.5.2b1 + + 18-Jan-1997 GvR 1007 string interning and other speedups + + 11-Oct-1996 GvR renamed Py_Ellipses to Py_Ellipsis :-( + + 30-Jul-1996 GvR Slice and ellipses syntax added + + 23-Jul-1996 GvR For 1.4 -- better safe than sorry this time :-) + + 7-Nov-1995 GvR Keyword arguments (should've been done at 1.3 :-( ) + + 10-Jan-1995 GvR Renamed globals to new naming scheme + + 9-Jan-1995 GvR Initial version (incompatible with older API) +*/ + +/* The PYTHON_ABI_VERSION is introduced in PEP 384. For the lifetime of + Python 3, it will stay at the value of 3; changes to the limited API + must be performed in a strictly backwards-compatible manner. */ +#define PYTHON_ABI_VERSION 3 +#define PYTHON_ABI_STRING "3" + +#ifdef Py_TRACE_REFS + /* When we are tracing reference counts, rename module creation functions so + modules compiled with incompatible settings will generate a + link-time error. */ + #define PyModule_Create2 PyModule_Create2TraceRefs + #define PyModule_FromDefAndSpec2 PyModule_FromDefAndSpec2TraceRefs +#endif + +PyAPI_FUNC(PyObject *) PyModule_Create2(struct PyModuleDef*, + int apiver); +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _PyModule_CreateInitialized(struct PyModuleDef*, + int apiver); +#endif + +#ifdef Py_LIMITED_API +#define PyModule_Create(module) \ + PyModule_Create2(module, PYTHON_ABI_VERSION) +#else +#define PyModule_Create(module) \ + PyModule_Create2(module, PYTHON_API_VERSION) +#endif + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +/* New in 3.5 */ +PyAPI_FUNC(PyObject *) PyModule_FromDefAndSpec2(PyModuleDef *def, + PyObject *spec, + int module_api_version); + +#ifdef Py_LIMITED_API +#define PyModule_FromDefAndSpec(module, spec) \ + PyModule_FromDefAndSpec2(module, spec, PYTHON_ABI_VERSION) +#else +#define PyModule_FromDefAndSpec(module, spec) \ + PyModule_FromDefAndSpec2(module, spec, PYTHON_API_VERSION) +#endif /* Py_LIMITED_API */ +#endif /* New in 3.5 */ + +#ifndef Py_LIMITED_API +PyAPI_DATA(const char *) _Py_PackageContext; +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_MODSUPPORT_H */ diff --git a/python-headers-win/Include/moduleobject.h b/python-headers-win/Include/moduleobject.h new file mode 100644 index 000000000..e246fd2fa --- /dev/null +++ b/python-headers-win/Include/moduleobject.h @@ -0,0 +1,90 @@ + +/* Module object interface */ + +#ifndef Py_MODULEOBJECT_H +#define Py_MODULEOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_DATA(PyTypeObject) PyModule_Type; + +#define PyModule_Check(op) PyObject_TypeCheck(op, &PyModule_Type) +#define PyModule_CheckExact(op) (Py_TYPE(op) == &PyModule_Type) + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject *) PyModule_NewObject( + PyObject *name + ); +#endif +PyAPI_FUNC(PyObject *) PyModule_New( + const char *name /* UTF-8 encoded string */ + ); +PyAPI_FUNC(PyObject *) PyModule_GetDict(PyObject *); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject *) PyModule_GetNameObject(PyObject *); +#endif +PyAPI_FUNC(const char *) PyModule_GetName(PyObject *); +Py_DEPRECATED(3.2) PyAPI_FUNC(const char *) PyModule_GetFilename(PyObject *); +PyAPI_FUNC(PyObject *) PyModule_GetFilenameObject(PyObject *); +#ifndef Py_LIMITED_API +PyAPI_FUNC(void) _PyModule_Clear(PyObject *); +PyAPI_FUNC(void) _PyModule_ClearDict(PyObject *); +PyAPI_FUNC(int) _PyModuleSpec_IsInitializing(PyObject *); +#endif +PyAPI_FUNC(struct PyModuleDef*) PyModule_GetDef(PyObject*); +PyAPI_FUNC(void*) PyModule_GetState(PyObject*); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +/* New in 3.5 */ +PyAPI_FUNC(PyObject *) PyModuleDef_Init(struct PyModuleDef*); +PyAPI_DATA(PyTypeObject) PyModuleDef_Type; +#endif + +typedef struct PyModuleDef_Base { + PyObject_HEAD + PyObject* (*m_init)(void); + Py_ssize_t m_index; + PyObject* m_copy; +} PyModuleDef_Base; + +#define PyModuleDef_HEAD_INIT { \ + PyObject_HEAD_INIT(NULL) \ + NULL, /* m_init */ \ + 0, /* m_index */ \ + NULL, /* m_copy */ \ + } + +struct PyModuleDef_Slot; +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +/* New in 3.5 */ +typedef struct PyModuleDef_Slot{ + int slot; + void *value; +} PyModuleDef_Slot; + +#define Py_mod_create 1 +#define Py_mod_exec 2 + +#ifndef Py_LIMITED_API +#define _Py_mod_LAST_SLOT 2 +#endif + +#endif /* New in 3.5 */ + +typedef struct PyModuleDef{ + PyModuleDef_Base m_base; + const char* m_name; + const char* m_doc; + Py_ssize_t m_size; + PyMethodDef *m_methods; + struct PyModuleDef_Slot* m_slots; + traverseproc m_traverse; + inquiry m_clear; + freefunc m_free; +} PyModuleDef; + +#ifdef __cplusplus +} +#endif +#endif /* !Py_MODULEOBJECT_H */ diff --git a/python-headers-win/Include/namespaceobject.h b/python-headers-win/Include/namespaceobject.h new file mode 100644 index 000000000..0c8d95c0f --- /dev/null +++ b/python-headers-win/Include/namespaceobject.h @@ -0,0 +1,19 @@ + +/* simple namespace object interface */ + +#ifndef NAMESPACEOBJECT_H +#define NAMESPACEOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +PyAPI_DATA(PyTypeObject) _PyNamespace_Type; + +PyAPI_FUNC(PyObject *) _PyNamespace_New(PyObject *kwds); +#endif /* !Py_LIMITED_API */ + +#ifdef __cplusplus +} +#endif +#endif /* !NAMESPACEOBJECT_H */ diff --git a/python-headers-win/Include/node.h b/python-headers-win/Include/node.h new file mode 100644 index 000000000..2b3907409 --- /dev/null +++ b/python-headers-win/Include/node.h @@ -0,0 +1,48 @@ + +/* Parse tree node interface */ + +#ifndef Py_NODE_H +#define Py_NODE_H +#ifdef __cplusplus +extern "C" { +#endif + +typedef struct _node { + short n_type; + char *n_str; + int n_lineno; + int n_col_offset; + int n_nchildren; + struct _node *n_child; + int n_end_lineno; + int n_end_col_offset; +} node; + +PyAPI_FUNC(node *) PyNode_New(int type); +PyAPI_FUNC(int) PyNode_AddChild(node *n, int type, + char *str, int lineno, int col_offset, + int end_lineno, int end_col_offset); +PyAPI_FUNC(void) PyNode_Free(node *n); +#ifndef Py_LIMITED_API +PyAPI_FUNC(Py_ssize_t) _PyNode_SizeOf(node *n); +#endif + +/* Node access functions */ +#define NCH(n) ((n)->n_nchildren) + +#define CHILD(n, i) (&(n)->n_child[i]) +#define RCHILD(n, i) (CHILD(n, NCH(n) + i)) +#define TYPE(n) ((n)->n_type) +#define STR(n) ((n)->n_str) +#define LINENO(n) ((n)->n_lineno) + +/* Assert that the type of a node is what we expect */ +#define REQ(n, type) assert(TYPE(n) == (type)) + +PyAPI_FUNC(void) PyNode_ListTree(node *); +void _PyNode_FinalizeEndPos(node *n); // helper also used in parsetok.c + +#ifdef __cplusplus +} +#endif +#endif /* !Py_NODE_H */ diff --git a/python-headers-win/Include/object.h b/python-headers-win/Include/object.h new file mode 100644 index 000000000..cc98d8a1d --- /dev/null +++ b/python-headers-win/Include/object.h @@ -0,0 +1,753 @@ +#ifndef Py_OBJECT_H +#define Py_OBJECT_H + +#include "pymem.h" /* _Py_tracemalloc_config */ + +#ifdef __cplusplus +extern "C" { +#endif + + +/* Object and type object interface */ + +/* +Objects are structures allocated on the heap. Special rules apply to +the use of objects to ensure they are properly garbage-collected. +Objects are never allocated statically or on the stack; they must be +accessed through special macros and functions only. (Type objects are +exceptions to the first rule; the standard types are represented by +statically initialized type objects, although work on type/class unification +for Python 2.2 made it possible to have heap-allocated type objects too). + +An object has a 'reference count' that is increased or decreased when a +pointer to the object is copied or deleted; when the reference count +reaches zero there are no references to the object left and it can be +removed from the heap. + +An object has a 'type' that determines what it represents and what kind +of data it contains. An object's type is fixed when it is created. +Types themselves are represented as objects; an object contains a +pointer to the corresponding type object. The type itself has a type +pointer pointing to the object representing the type 'type', which +contains a pointer to itself!). + +Objects do not float around in memory; once allocated an object keeps +the same size and address. Objects that must hold variable-size data +can contain pointers to variable-size parts of the object. Not all +objects of the same type have the same size; but the size cannot change +after allocation. (These restrictions are made so a reference to an +object can be simply a pointer -- moving an object would require +updating all the pointers, and changing an object's size would require +moving it if there was another object right next to it.) + +Objects are always accessed through pointers of the type 'PyObject *'. +The type 'PyObject' is a structure that only contains the reference count +and the type pointer. The actual memory allocated for an object +contains other data that can only be accessed after casting the pointer +to a pointer to a longer structure type. This longer type must start +with the reference count and type fields; the macro PyObject_HEAD should be +used for this (to accommodate for future changes). The implementation +of a particular object type can cast the object pointer to the proper +type and back. + +A standard interface exists for objects that contain an array of items +whose size is determined when the object is allocated. +*/ + +/* Py_DEBUG implies Py_REF_DEBUG. */ +#if defined(Py_DEBUG) && !defined(Py_REF_DEBUG) +#define Py_REF_DEBUG +#endif + +#if defined(Py_LIMITED_API) && defined(Py_REF_DEBUG) +#error Py_LIMITED_API is incompatible with Py_DEBUG, Py_TRACE_REFS, and Py_REF_DEBUG +#endif + + +#ifdef Py_TRACE_REFS +/* Define pointers to support a doubly-linked list of all live heap objects. */ +#define _PyObject_HEAD_EXTRA \ + struct _object *_ob_next; \ + struct _object *_ob_prev; + +#define _PyObject_EXTRA_INIT 0, 0, + +#else +#define _PyObject_HEAD_EXTRA +#define _PyObject_EXTRA_INIT +#endif + +/* PyObject_HEAD defines the initial segment of every PyObject. */ +#define PyObject_HEAD PyObject ob_base; + +#define PyObject_HEAD_INIT(type) \ + { _PyObject_EXTRA_INIT \ + 1, type }, + +#define PyVarObject_HEAD_INIT(type, size) \ + { PyObject_HEAD_INIT(type) size }, + +/* PyObject_VAR_HEAD defines the initial segment of all variable-size + * container objects. These end with a declaration of an array with 1 + * element, but enough space is malloc'ed so that the array actually + * has room for ob_size elements. Note that ob_size is an element count, + * not necessarily a byte count. + */ +#define PyObject_VAR_HEAD PyVarObject ob_base; +#define Py_INVALID_SIZE (Py_ssize_t)-1 + +/* Nothing is actually declared to be a PyObject, but every pointer to + * a Python object can be cast to a PyObject*. This is inheritance built + * by hand. Similarly every pointer to a variable-size Python object can, + * in addition, be cast to PyVarObject*. + */ +typedef struct _object { + _PyObject_HEAD_EXTRA + Py_ssize_t ob_refcnt; + struct _typeobject *ob_type; +} PyObject; + +/* Cast argument to PyObject* type. */ +#define _PyObject_CAST(op) ((PyObject*)(op)) + +typedef struct { + PyObject ob_base; + Py_ssize_t ob_size; /* Number of items in variable part */ +} PyVarObject; + +/* Cast argument to PyVarObject* type. */ +#define _PyVarObject_CAST(op) ((PyVarObject*)(op)) + +#define Py_REFCNT(ob) (_PyObject_CAST(ob)->ob_refcnt) +#define Py_TYPE(ob) (_PyObject_CAST(ob)->ob_type) +#define Py_SIZE(ob) (_PyVarObject_CAST(ob)->ob_size) + +/* +Type objects contain a string containing the type name (to help somewhat +in debugging), the allocation parameters (see PyObject_New() and +PyObject_NewVar()), +and methods for accessing objects of the type. Methods are optional, a +nil pointer meaning that particular kind of access is not available for +this type. The Py_DECREF() macro uses the tp_dealloc method without +checking for a nil pointer; it should always be implemented except if +the implementation can guarantee that the reference count will never +reach zero (e.g., for statically allocated type objects). + +NB: the methods for certain type groups are now contained in separate +method blocks. +*/ + +typedef PyObject * (*unaryfunc)(PyObject *); +typedef PyObject * (*binaryfunc)(PyObject *, PyObject *); +typedef PyObject * (*ternaryfunc)(PyObject *, PyObject *, PyObject *); +typedef int (*inquiry)(PyObject *); +typedef Py_ssize_t (*lenfunc)(PyObject *); +typedef PyObject *(*ssizeargfunc)(PyObject *, Py_ssize_t); +typedef PyObject *(*ssizessizeargfunc)(PyObject *, Py_ssize_t, Py_ssize_t); +typedef int(*ssizeobjargproc)(PyObject *, Py_ssize_t, PyObject *); +typedef int(*ssizessizeobjargproc)(PyObject *, Py_ssize_t, Py_ssize_t, PyObject *); +typedef int(*objobjargproc)(PyObject *, PyObject *, PyObject *); + +typedef int (*objobjproc)(PyObject *, PyObject *); +typedef int (*visitproc)(PyObject *, void *); +typedef int (*traverseproc)(PyObject *, visitproc, void *); + + +typedef void (*freefunc)(void *); +typedef void (*destructor)(PyObject *); +typedef PyObject *(*getattrfunc)(PyObject *, char *); +typedef PyObject *(*getattrofunc)(PyObject *, PyObject *); +typedef int (*setattrfunc)(PyObject *, char *, PyObject *); +typedef int (*setattrofunc)(PyObject *, PyObject *, PyObject *); +typedef PyObject *(*reprfunc)(PyObject *); +typedef Py_hash_t (*hashfunc)(PyObject *); +typedef PyObject *(*richcmpfunc) (PyObject *, PyObject *, int); +typedef PyObject *(*getiterfunc) (PyObject *); +typedef PyObject *(*iternextfunc) (PyObject *); +typedef PyObject *(*descrgetfunc) (PyObject *, PyObject *, PyObject *); +typedef int (*descrsetfunc) (PyObject *, PyObject *, PyObject *); +typedef int (*initproc)(PyObject *, PyObject *, PyObject *); +typedef PyObject *(*newfunc)(struct _typeobject *, PyObject *, PyObject *); +typedef PyObject *(*allocfunc)(struct _typeobject *, Py_ssize_t); + +#ifdef Py_LIMITED_API +/* In Py_LIMITED_API, PyTypeObject is an opaque structure. */ +typedef struct _typeobject PyTypeObject; +#else +/* PyTypeObject is defined in cpython/object.h */ +#endif + +typedef struct{ + int slot; /* slot id, see below */ + void *pfunc; /* function pointer */ +} PyType_Slot; + +typedef struct{ + const char* name; + int basicsize; + int itemsize; + unsigned int flags; + PyType_Slot *slots; /* terminated by slot==0. */ +} PyType_Spec; + +PyAPI_FUNC(PyObject*) PyType_FromSpec(PyType_Spec*); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject*) PyType_FromSpecWithBases(PyType_Spec*, PyObject*); +#endif +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03040000 +PyAPI_FUNC(void*) PyType_GetSlot(struct _typeobject*, int); +#endif + +/* Generic type check */ +PyAPI_FUNC(int) PyType_IsSubtype(struct _typeobject *, struct _typeobject *); +#define PyObject_TypeCheck(ob, tp) \ + (Py_TYPE(ob) == (tp) || PyType_IsSubtype(Py_TYPE(ob), (tp))) + +PyAPI_DATA(struct _typeobject) PyType_Type; /* built-in 'type' */ +PyAPI_DATA(struct _typeobject) PyBaseObject_Type; /* built-in 'object' */ +PyAPI_DATA(struct _typeobject) PySuper_Type; /* built-in 'super' */ + +PyAPI_FUNC(unsigned long) PyType_GetFlags(struct _typeobject*); + +#define PyType_Check(op) \ + PyType_FastSubclass(Py_TYPE(op), Py_TPFLAGS_TYPE_SUBCLASS) +#define PyType_CheckExact(op) (Py_TYPE(op) == &PyType_Type) + +PyAPI_FUNC(int) PyType_Ready(struct _typeobject *); +PyAPI_FUNC(PyObject *) PyType_GenericAlloc(struct _typeobject *, Py_ssize_t); +PyAPI_FUNC(PyObject *) PyType_GenericNew(struct _typeobject *, + PyObject *, PyObject *); +PyAPI_FUNC(unsigned int) PyType_ClearCache(void); +PyAPI_FUNC(void) PyType_Modified(struct _typeobject *); + +/* Generic operations on objects */ +PyAPI_FUNC(PyObject *) PyObject_Repr(PyObject *); +PyAPI_FUNC(PyObject *) PyObject_Str(PyObject *); +PyAPI_FUNC(PyObject *) PyObject_ASCII(PyObject *); +PyAPI_FUNC(PyObject *) PyObject_Bytes(PyObject *); +PyAPI_FUNC(PyObject *) PyObject_RichCompare(PyObject *, PyObject *, int); +PyAPI_FUNC(int) PyObject_RichCompareBool(PyObject *, PyObject *, int); +PyAPI_FUNC(PyObject *) PyObject_GetAttrString(PyObject *, const char *); +PyAPI_FUNC(int) PyObject_SetAttrString(PyObject *, const char *, PyObject *); +PyAPI_FUNC(int) PyObject_HasAttrString(PyObject *, const char *); +PyAPI_FUNC(PyObject *) PyObject_GetAttr(PyObject *, PyObject *); +PyAPI_FUNC(int) PyObject_SetAttr(PyObject *, PyObject *, PyObject *); +PyAPI_FUNC(int) PyObject_HasAttr(PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) PyObject_SelfIter(PyObject *); +PyAPI_FUNC(PyObject *) PyObject_GenericGetAttr(PyObject *, PyObject *); +PyAPI_FUNC(int) PyObject_GenericSetAttr(PyObject *, + PyObject *, PyObject *); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(int) PyObject_GenericSetDict(PyObject *, PyObject *, void *); +#endif +PyAPI_FUNC(Py_hash_t) PyObject_Hash(PyObject *); +PyAPI_FUNC(Py_hash_t) PyObject_HashNotImplemented(PyObject *); +PyAPI_FUNC(int) PyObject_IsTrue(PyObject *); +PyAPI_FUNC(int) PyObject_Not(PyObject *); +PyAPI_FUNC(int) PyCallable_Check(PyObject *); +PyAPI_FUNC(void) PyObject_ClearWeakRefs(PyObject *); + +/* PyObject_Dir(obj) acts like Python builtins.dir(obj), returning a + list of strings. PyObject_Dir(NULL) is like builtins.dir(), + returning the names of the current locals. In this case, if there are + no current locals, NULL is returned, and PyErr_Occurred() is false. +*/ +PyAPI_FUNC(PyObject *) PyObject_Dir(PyObject *); + + +/* Helpers for printing recursive container types */ +PyAPI_FUNC(int) Py_ReprEnter(PyObject *); +PyAPI_FUNC(void) Py_ReprLeave(PyObject *); + +/* Flag bits for printing: */ +#define Py_PRINT_RAW 1 /* No string quotes etc. */ + +/* +Type flags (tp_flags) + +These flags are used to change expected features and behavior for a +particular type. + +Arbitration of the flag bit positions will need to be coordinated among +all extension writers who publicly release their extensions (this will +be fewer than you might expect!). + +Most flags were removed as of Python 3.0 to make room for new flags. (Some +flags are not for backwards compatibility but to indicate the presence of an +optional feature; these flags remain of course.) + +Type definitions should use Py_TPFLAGS_DEFAULT for their tp_flags value. + +Code can use PyType_HasFeature(type_ob, flag_value) to test whether the +given type object has a specified feature. +*/ + +/* Set if the type object is dynamically allocated */ +#define Py_TPFLAGS_HEAPTYPE (1UL << 9) + +/* Set if the type allows subclassing */ +#define Py_TPFLAGS_BASETYPE (1UL << 10) + +/* Set if the type implements the vectorcall protocol (PEP 590) */ +#ifndef Py_LIMITED_API +#define _Py_TPFLAGS_HAVE_VECTORCALL (1UL << 11) +#endif + +/* Set if the type is 'ready' -- fully initialized */ +#define Py_TPFLAGS_READY (1UL << 12) + +/* Set while the type is being 'readied', to prevent recursive ready calls */ +#define Py_TPFLAGS_READYING (1UL << 13) + +/* Objects support garbage collection (see objimpl.h) */ +#define Py_TPFLAGS_HAVE_GC (1UL << 14) + +/* These two bits are preserved for Stackless Python, next after this is 17 */ +#ifdef STACKLESS +#define Py_TPFLAGS_HAVE_STACKLESS_EXTENSION (3UL << 15) +#else +#define Py_TPFLAGS_HAVE_STACKLESS_EXTENSION 0 +#endif + +/* Objects behave like an unbound method */ +#define Py_TPFLAGS_METHOD_DESCRIPTOR (1UL << 17) + +/* Objects support type attribute cache */ +#define Py_TPFLAGS_HAVE_VERSION_TAG (1UL << 18) +#define Py_TPFLAGS_VALID_VERSION_TAG (1UL << 19) + +/* Type is abstract and cannot be instantiated */ +#define Py_TPFLAGS_IS_ABSTRACT (1UL << 20) + +/* These flags are used to determine if a type is a subclass. */ +#define Py_TPFLAGS_LONG_SUBCLASS (1UL << 24) +#define Py_TPFLAGS_LIST_SUBCLASS (1UL << 25) +#define Py_TPFLAGS_TUPLE_SUBCLASS (1UL << 26) +#define Py_TPFLAGS_BYTES_SUBCLASS (1UL << 27) +#define Py_TPFLAGS_UNICODE_SUBCLASS (1UL << 28) +#define Py_TPFLAGS_DICT_SUBCLASS (1UL << 29) +#define Py_TPFLAGS_BASE_EXC_SUBCLASS (1UL << 30) +#define Py_TPFLAGS_TYPE_SUBCLASS (1UL << 31) + +#define Py_TPFLAGS_DEFAULT ( \ + Py_TPFLAGS_HAVE_STACKLESS_EXTENSION | \ + Py_TPFLAGS_HAVE_VERSION_TAG | \ + 0) + +/* NOTE: The following flags reuse lower bits (removed as part of the + * Python 3.0 transition). */ + +/* The following flag is kept for compatibility. Starting with 3.8, + * binary compatibility of C extensions accross feature releases of + * Python is not supported anymore, except when using the stable ABI. + */ + +/* Type structure has tp_finalize member (3.4) */ +#define Py_TPFLAGS_HAVE_FINALIZE (1UL << 0) + +#ifdef Py_LIMITED_API +# define PyType_HasFeature(t,f) ((PyType_GetFlags(t) & (f)) != 0) +#endif +#define PyType_FastSubclass(t,f) PyType_HasFeature(t,f) + + +/* +The macros Py_INCREF(op) and Py_DECREF(op) are used to increment or decrement +reference counts. Py_DECREF calls the object's deallocator function when +the refcount falls to 0; for +objects that don't contain references to other objects or heap memory +this can be the standard function free(). Both macros can be used +wherever a void expression is allowed. The argument must not be a +NULL pointer. If it may be NULL, use Py_XINCREF/Py_XDECREF instead. +The macro _Py_NewReference(op) initialize reference counts to 1, and +in special builds (Py_REF_DEBUG, Py_TRACE_REFS) performs additional +bookkeeping appropriate to the special build. + +We assume that the reference count field can never overflow; this can +be proven when the size of the field is the same as the pointer size, so +we ignore the possibility. Provided a C int is at least 32 bits (which +is implicitly assumed in many parts of this code), that's enough for +about 2**31 references to an object. + +XXX The following became out of date in Python 2.2, but I'm not sure +XXX what the full truth is now. Certainly, heap-allocated type objects +XXX can and should be deallocated. +Type objects should never be deallocated; the type pointer in an object +is not considered to be a reference to the type object, to save +complications in the deallocation function. (This is actually a +decision that's up to the implementer of each new type so if you want, +you can count such references to the type object.) +*/ + +/* First define a pile of simple helper macros, one set per special + * build symbol. These either expand to the obvious things, or to + * nothing at all when the special mode isn't in effect. The main + * macros can later be defined just once then, yet expand to different + * things depending on which special build options are and aren't in effect. + * Trust me : while painful, this is 20x easier to understand than, + * e.g, defining _Py_NewReference five different times in a maze of nested + * #ifdefs (we used to do that -- it was impenetrable). + */ +#ifdef Py_REF_DEBUG +PyAPI_DATA(Py_ssize_t) _Py_RefTotal; +PyAPI_FUNC(void) _Py_NegativeRefcount(const char *filename, int lineno, + PyObject *op); +PyAPI_FUNC(Py_ssize_t) _Py_GetRefTotal(void); +#define _Py_INC_REFTOTAL _Py_RefTotal++ +#define _Py_DEC_REFTOTAL _Py_RefTotal-- + +/* Py_REF_DEBUG also controls the display of refcounts and memory block + * allocations at the interactive prompt and at interpreter shutdown + */ +PyAPI_FUNC(void) _PyDebug_PrintTotalRefs(void); +#else +#define _Py_INC_REFTOTAL +#define _Py_DEC_REFTOTAL +#endif /* Py_REF_DEBUG */ + +#ifdef COUNT_ALLOCS +PyAPI_FUNC(void) _Py_inc_count(struct _typeobject *); +PyAPI_FUNC(void) _Py_dec_count(struct _typeobject *); +#define _Py_INC_TPALLOCS(OP) _Py_inc_count(Py_TYPE(OP)) +#define _Py_INC_TPFREES(OP) _Py_dec_count(Py_TYPE(OP)) +#define _Py_DEC_TPFREES(OP) Py_TYPE(OP)->tp_frees-- +#define _Py_COUNT_ALLOCS_COMMA , +#else +#define _Py_INC_TPALLOCS(OP) +#define _Py_INC_TPFREES(OP) +#define _Py_DEC_TPFREES(OP) +#define _Py_COUNT_ALLOCS_COMMA +#endif /* COUNT_ALLOCS */ + +/* Update the Python traceback of an object. This function must be called + when a memory block is reused from a free list. */ +PyAPI_FUNC(int) _PyTraceMalloc_NewReference(PyObject *op); + +#ifdef Py_TRACE_REFS +/* Py_TRACE_REFS is such major surgery that we call external routines. */ +PyAPI_FUNC(void) _Py_NewReference(PyObject *); +PyAPI_FUNC(void) _Py_ForgetReference(PyObject *); +PyAPI_FUNC(void) _Py_PrintReferences(FILE *); +PyAPI_FUNC(void) _Py_PrintReferenceAddresses(FILE *); +PyAPI_FUNC(void) _Py_AddToAllObjects(PyObject *, int force); +#else +/* Without Py_TRACE_REFS, there's little enough to do that we expand code + inline. */ +static inline void _Py_NewReference(PyObject *op) +{ + if (_Py_tracemalloc_config.tracing) { + _PyTraceMalloc_NewReference(op); + } + _Py_INC_TPALLOCS(op); + _Py_INC_REFTOTAL; + Py_REFCNT(op) = 1; +} + +static inline void _Py_ForgetReference(PyObject *op) +{ + (void)op; /* may be unused, shut up -Wunused-parameter */ + _Py_INC_TPFREES(op); +} +#endif /* !Py_TRACE_REFS */ + + +PyAPI_FUNC(void) _Py_Dealloc(PyObject *); + +static inline void _Py_INCREF(PyObject *op) +{ + _Py_INC_REFTOTAL; + op->ob_refcnt++; +} + +#define Py_INCREF(op) _Py_INCREF(_PyObject_CAST(op)) + +static inline void _Py_DECREF(const char *filename, int lineno, + PyObject *op) +{ + (void)filename; /* may be unused, shut up -Wunused-parameter */ + (void)lineno; /* may be unused, shut up -Wunused-parameter */ + _Py_DEC_REFTOTAL; + if (--op->ob_refcnt != 0) { +#ifdef Py_REF_DEBUG + if (op->ob_refcnt < 0) { + _Py_NegativeRefcount(filename, lineno, op); + } +#endif + } + else { + _Py_Dealloc(op); + } +} + +#define Py_DECREF(op) _Py_DECREF(__FILE__, __LINE__, _PyObject_CAST(op)) + + +/* Safely decref `op` and set `op` to NULL, especially useful in tp_clear + * and tp_dealloc implementations. + * + * Note that "the obvious" code can be deadly: + * + * Py_XDECREF(op); + * op = NULL; + * + * Typically, `op` is something like self->containee, and `self` is done + * using its `containee` member. In the code sequence above, suppose + * `containee` is non-NULL with a refcount of 1. Its refcount falls to + * 0 on the first line, which can trigger an arbitrary amount of code, + * possibly including finalizers (like __del__ methods or weakref callbacks) + * coded in Python, which in turn can release the GIL and allow other threads + * to run, etc. Such code may even invoke methods of `self` again, or cause + * cyclic gc to trigger, but-- oops! --self->containee still points to the + * object being torn down, and it may be in an insane state while being torn + * down. This has in fact been a rich historic source of miserable (rare & + * hard-to-diagnose) segfaulting (and other) bugs. + * + * The safe way is: + * + * Py_CLEAR(op); + * + * That arranges to set `op` to NULL _before_ decref'ing, so that any code + * triggered as a side-effect of `op` getting torn down no longer believes + * `op` points to a valid object. + * + * There are cases where it's safe to use the naive code, but they're brittle. + * For example, if `op` points to a Python integer, you know that destroying + * one of those can't cause problems -- but in part that relies on that + * Python integers aren't currently weakly referencable. Best practice is + * to use Py_CLEAR() even if you can't think of a reason for why you need to. + */ +#define Py_CLEAR(op) \ + do { \ + PyObject *_py_tmp = _PyObject_CAST(op); \ + if (_py_tmp != NULL) { \ + (op) = NULL; \ + Py_DECREF(_py_tmp); \ + } \ + } while (0) + +/* Function to use in case the object pointer can be NULL: */ +static inline void _Py_XINCREF(PyObject *op) +{ + if (op != NULL) { + Py_INCREF(op); + } +} + +#define Py_XINCREF(op) _Py_XINCREF(_PyObject_CAST(op)) + +static inline void _Py_XDECREF(PyObject *op) +{ + if (op != NULL) { + Py_DECREF(op); + } +} + +#define Py_XDECREF(op) _Py_XDECREF(_PyObject_CAST(op)) + +/* +These are provided as conveniences to Python runtime embedders, so that +they can have object code that is not dependent on Python compilation flags. +*/ +PyAPI_FUNC(void) Py_IncRef(PyObject *); +PyAPI_FUNC(void) Py_DecRef(PyObject *); + +/* +_Py_NoneStruct is an object of undefined type which can be used in contexts +where NULL (nil) is not suitable (since NULL often means 'error'). + +Don't forget to apply Py_INCREF() when returning this value!!! +*/ +PyAPI_DATA(PyObject) _Py_NoneStruct; /* Don't use this directly */ +#define Py_None (&_Py_NoneStruct) + +/* Macro for returning Py_None from a function */ +#define Py_RETURN_NONE return Py_INCREF(Py_None), Py_None + +/* +Py_NotImplemented is a singleton used to signal that an operation is +not implemented for a given type combination. +*/ +PyAPI_DATA(PyObject) _Py_NotImplementedStruct; /* Don't use this directly */ +#define Py_NotImplemented (&_Py_NotImplementedStruct) + +/* Macro for returning Py_NotImplemented from a function */ +#define Py_RETURN_NOTIMPLEMENTED \ + return Py_INCREF(Py_NotImplemented), Py_NotImplemented + +/* Rich comparison opcodes */ +#define Py_LT 0 +#define Py_LE 1 +#define Py_EQ 2 +#define Py_NE 3 +#define Py_GT 4 +#define Py_GE 5 + +/* + * Macro for implementing rich comparisons + * + * Needs to be a macro because any C-comparable type can be used. + */ +#define Py_RETURN_RICHCOMPARE(val1, val2, op) \ + do { \ + switch (op) { \ + case Py_EQ: if ((val1) == (val2)) Py_RETURN_TRUE; Py_RETURN_FALSE; \ + case Py_NE: if ((val1) != (val2)) Py_RETURN_TRUE; Py_RETURN_FALSE; \ + case Py_LT: if ((val1) < (val2)) Py_RETURN_TRUE; Py_RETURN_FALSE; \ + case Py_GT: if ((val1) > (val2)) Py_RETURN_TRUE; Py_RETURN_FALSE; \ + case Py_LE: if ((val1) <= (val2)) Py_RETURN_TRUE; Py_RETURN_FALSE; \ + case Py_GE: if ((val1) >= (val2)) Py_RETURN_TRUE; Py_RETURN_FALSE; \ + default: \ + Py_UNREACHABLE(); \ + } \ + } while (0) + + +/* +More conventions +================ + +Argument Checking +----------------- + +Functions that take objects as arguments normally don't check for nil +arguments, but they do check the type of the argument, and return an +error if the function doesn't apply to the type. + +Failure Modes +------------- + +Functions may fail for a variety of reasons, including running out of +memory. This is communicated to the caller in two ways: an error string +is set (see errors.h), and the function result differs: functions that +normally return a pointer return NULL for failure, functions returning +an integer return -1 (which could be a legal return value too!), and +other functions return 0 for success and -1 for failure. +Callers should always check for errors before using the result. If +an error was set, the caller must either explicitly clear it, or pass +the error on to its caller. + +Reference Counts +---------------- + +It takes a while to get used to the proper usage of reference counts. + +Functions that create an object set the reference count to 1; such new +objects must be stored somewhere or destroyed again with Py_DECREF(). +Some functions that 'store' objects, such as PyTuple_SetItem() and +PyList_SetItem(), +don't increment the reference count of the object, since the most +frequent use is to store a fresh object. Functions that 'retrieve' +objects, such as PyTuple_GetItem() and PyDict_GetItemString(), also +don't increment +the reference count, since most frequently the object is only looked at +quickly. Thus, to retrieve an object and store it again, the caller +must call Py_INCREF() explicitly. + +NOTE: functions that 'consume' a reference count, like +PyList_SetItem(), consume the reference even if the object wasn't +successfully stored, to simplify error handling. + +It seems attractive to make other functions that take an object as +argument consume a reference count; however, this may quickly get +confusing (even the current practice is already confusing). Consider +it carefully, it may save lots of calls to Py_INCREF() and Py_DECREF() at +times. +*/ + + +/* Trashcan mechanism, thanks to Christian Tismer. + +When deallocating a container object, it's possible to trigger an unbounded +chain of deallocations, as each Py_DECREF in turn drops the refcount on "the +next" object in the chain to 0. This can easily lead to stack overflows, +especially in threads (which typically have less stack space to work with). + +A container object can avoid this by bracketing the body of its tp_dealloc +function with a pair of macros: + +static void +mytype_dealloc(mytype *p) +{ + ... declarations go here ... + + PyObject_GC_UnTrack(p); // must untrack first + Py_TRASHCAN_BEGIN(p, mytype_dealloc) + ... The body of the deallocator goes here, including all calls ... + ... to Py_DECREF on contained objects. ... + Py_TRASHCAN_END // there should be no code after this +} + +CAUTION: Never return from the middle of the body! If the body needs to +"get out early", put a label immediately before the Py_TRASHCAN_END +call, and goto it. Else the call-depth counter (see below) will stay +above 0 forever, and the trashcan will never get emptied. + +How it works: The BEGIN macro increments a call-depth counter. So long +as this counter is small, the body of the deallocator is run directly without +further ado. But if the counter gets large, it instead adds p to a list of +objects to be deallocated later, skips the body of the deallocator, and +resumes execution after the END macro. The tp_dealloc routine then returns +without deallocating anything (and so unbounded call-stack depth is avoided). + +When the call stack finishes unwinding again, code generated by the END macro +notices this, and calls another routine to deallocate all the objects that +may have been added to the list of deferred deallocations. In effect, a +chain of N deallocations is broken into (N-1)/(PyTrash_UNWIND_LEVEL-1) pieces, +with the call stack never exceeding a depth of PyTrash_UNWIND_LEVEL. + +Since the tp_dealloc of a subclass typically calls the tp_dealloc of the base +class, we need to ensure that the trashcan is only triggered on the tp_dealloc +of the actual class being deallocated. Otherwise we might end up with a +partially-deallocated object. To check this, the tp_dealloc function must be +passed as second argument to Py_TRASHCAN_BEGIN(). +*/ + +/* The new thread-safe private API, invoked by the macros below. */ +PyAPI_FUNC(void) _PyTrash_thread_deposit_object(PyObject*); +PyAPI_FUNC(void) _PyTrash_thread_destroy_chain(void); + +#define PyTrash_UNWIND_LEVEL 50 + +#define Py_TRASHCAN_BEGIN_CONDITION(op, cond) \ + do { \ + PyThreadState *_tstate = NULL; \ + /* If "cond" is false, then _tstate remains NULL and the deallocator \ + * is run normally without involving the trashcan */ \ + if (cond) { \ + _tstate = PyThreadState_GET(); \ + if (_tstate->trash_delete_nesting >= PyTrash_UNWIND_LEVEL) { \ + /* Store the object (to be deallocated later) and jump past \ + * Py_TRASHCAN_END, skipping the body of the deallocator */ \ + _PyTrash_thread_deposit_object(_PyObject_CAST(op)); \ + break; \ + } \ + ++_tstate->trash_delete_nesting; \ + } + /* The body of the deallocator is here. */ +#define Py_TRASHCAN_END \ + if (_tstate) { \ + --_tstate->trash_delete_nesting; \ + if (_tstate->trash_delete_later && _tstate->trash_delete_nesting <= 0) \ + _PyTrash_thread_destroy_chain(); \ + } \ + } while (0); + +#define Py_TRASHCAN_BEGIN(op, dealloc) Py_TRASHCAN_BEGIN_CONDITION(op, \ + Py_TYPE(op)->tp_dealloc == (destructor)(dealloc)) + +/* For backwards compatibility, these macros enable the trashcan + * unconditionally */ +#define Py_TRASHCAN_SAFE_BEGIN(op) Py_TRASHCAN_BEGIN_CONDITION(op, 1) +#define Py_TRASHCAN_SAFE_END(op) Py_TRASHCAN_END + + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_OBJECT_H +# include "cpython/object.h" +# undef Py_CPYTHON_OBJECT_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_OBJECT_H */ diff --git a/python-headers-win/Include/objimpl.h b/python-headers-win/Include/objimpl.h new file mode 100644 index 000000000..2337d8a56 --- /dev/null +++ b/python-headers-win/Include/objimpl.h @@ -0,0 +1,284 @@ +/* The PyObject_ memory family: high-level object memory interfaces. + See pymem.h for the low-level PyMem_ family. +*/ + +#ifndef Py_OBJIMPL_H +#define Py_OBJIMPL_H + +#include "pymem.h" + +#ifdef __cplusplus +extern "C" { +#endif + +/* BEWARE: + + Each interface exports both functions and macros. Extension modules should + use the functions, to ensure binary compatibility across Python versions. + Because the Python implementation is free to change internal details, and + the macros may (or may not) expose details for speed, if you do use the + macros you must recompile your extensions with each Python release. + + Never mix calls to PyObject_ memory functions with calls to the platform + malloc/realloc/ calloc/free, or with calls to PyMem_. +*/ + +/* +Functions and macros for modules that implement new object types. + + - PyObject_New(type, typeobj) allocates memory for a new object of the given + type, and initializes part of it. 'type' must be the C structure type used + to represent the object, and 'typeobj' the address of the corresponding + type object. Reference count and type pointer are filled in; the rest of + the bytes of the object are *undefined*! The resulting expression type is + 'type *'. The size of the object is determined by the tp_basicsize field + of the type object. + + - PyObject_NewVar(type, typeobj, n) is similar but allocates a variable-size + object with room for n items. In addition to the refcount and type pointer + fields, this also fills in the ob_size field. + + - PyObject_Del(op) releases the memory allocated for an object. It does not + run a destructor -- it only frees the memory. PyObject_Free is identical. + + - PyObject_Init(op, typeobj) and PyObject_InitVar(op, typeobj, n) don't + allocate memory. Instead of a 'type' parameter, they take a pointer to a + new object (allocated by an arbitrary allocator), and initialize its object + header fields. + +Note that objects created with PyObject_{New, NewVar} are allocated using the +specialized Python allocator (implemented in obmalloc.c), if WITH_PYMALLOC is +enabled. In addition, a special debugging allocator is used if PYMALLOC_DEBUG +is also #defined. + +In case a specific form of memory management is needed (for example, if you +must use the platform malloc heap(s), or shared memory, or C++ local storage or +operator new), you must first allocate the object with your custom allocator, +then pass its pointer to PyObject_{Init, InitVar} for filling in its Python- +specific fields: reference count, type pointer, possibly others. You should +be aware that Python has no control over these objects because they don't +cooperate with the Python memory manager. Such objects may not be eligible +for automatic garbage collection and you have to make sure that they are +released accordingly whenever their destructor gets called (cf. the specific +form of memory management you're using). + +Unless you have specific memory management requirements, use +PyObject_{New, NewVar, Del}. +*/ + +/* + * Raw object memory interface + * =========================== + */ + +/* Functions to call the same malloc/realloc/free as used by Python's + object allocator. If WITH_PYMALLOC is enabled, these may differ from + the platform malloc/realloc/free. The Python object allocator is + designed for fast, cache-conscious allocation of many "small" objects, + and with low hidden memory overhead. + + PyObject_Malloc(0) returns a unique non-NULL pointer if possible. + + PyObject_Realloc(NULL, n) acts like PyObject_Malloc(n). + PyObject_Realloc(p != NULL, 0) does not return NULL, or free the memory + at p. + + Returned pointers must be checked for NULL explicitly; no action is + performed on failure other than to return NULL (no warning it printed, no + exception is set, etc). + + For allocating objects, use PyObject_{New, NewVar} instead whenever + possible. The PyObject_{Malloc, Realloc, Free} family is exposed + so that you can exploit Python's small-block allocator for non-object + uses. If you must use these routines to allocate object memory, make sure + the object gets initialized via PyObject_{Init, InitVar} after obtaining + the raw memory. +*/ +PyAPI_FUNC(void *) PyObject_Malloc(size_t size); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +PyAPI_FUNC(void *) PyObject_Calloc(size_t nelem, size_t elsize); +#endif +PyAPI_FUNC(void *) PyObject_Realloc(void *ptr, size_t new_size); +PyAPI_FUNC(void) PyObject_Free(void *ptr); + + +/* Macros */ +#define PyObject_MALLOC PyObject_Malloc +#define PyObject_REALLOC PyObject_Realloc +#define PyObject_FREE PyObject_Free +#define PyObject_Del PyObject_Free +#define PyObject_DEL PyObject_Free + + +/* + * Generic object allocator interface + * ================================== + */ + +/* Functions */ +PyAPI_FUNC(PyObject *) PyObject_Init(PyObject *, PyTypeObject *); +PyAPI_FUNC(PyVarObject *) PyObject_InitVar(PyVarObject *, + PyTypeObject *, Py_ssize_t); +PyAPI_FUNC(PyObject *) _PyObject_New(PyTypeObject *); +PyAPI_FUNC(PyVarObject *) _PyObject_NewVar(PyTypeObject *, Py_ssize_t); + +#define PyObject_New(type, typeobj) \ + ( (type *) _PyObject_New(typeobj) ) +#define PyObject_NewVar(type, typeobj, n) \ + ( (type *) _PyObject_NewVar((typeobj), (n)) ) + +/* Inline functions trading binary compatibility for speed: + PyObject_INIT() is the fast version of PyObject_Init(), and + PyObject_INIT_VAR() is the fast version of PyObject_InitVar. + See also pymem.h. + + These inline functions expect non-NULL object pointers. */ +static inline PyObject* +_PyObject_INIT(PyObject *op, PyTypeObject *typeobj) +{ + assert(op != NULL); + Py_TYPE(op) = typeobj; + if (PyType_GetFlags(typeobj) & Py_TPFLAGS_HEAPTYPE) { + Py_INCREF(typeobj); + } + _Py_NewReference(op); + return op; +} + +#define PyObject_INIT(op, typeobj) \ + _PyObject_INIT(_PyObject_CAST(op), (typeobj)) + +static inline PyVarObject* +_PyObject_INIT_VAR(PyVarObject *op, PyTypeObject *typeobj, Py_ssize_t size) +{ + assert(op != NULL); + Py_SIZE(op) = size; + PyObject_INIT((PyObject *)op, typeobj); + return op; +} + +#define PyObject_INIT_VAR(op, typeobj, size) \ + _PyObject_INIT_VAR(_PyVarObject_CAST(op), (typeobj), (size)) + +#define _PyObject_SIZE(typeobj) ( (typeobj)->tp_basicsize ) + +/* _PyObject_VAR_SIZE returns the number of bytes (as size_t) allocated for a + vrbl-size object with nitems items, exclusive of gc overhead (if any). The + value is rounded up to the closest multiple of sizeof(void *), in order to + ensure that pointer fields at the end of the object are correctly aligned + for the platform (this is of special importance for subclasses of, e.g., + str or int, so that pointers can be stored after the embedded data). + + Note that there's no memory wastage in doing this, as malloc has to + return (at worst) pointer-aligned memory anyway. +*/ +#if ((SIZEOF_VOID_P - 1) & SIZEOF_VOID_P) != 0 +# error "_PyObject_VAR_SIZE requires SIZEOF_VOID_P be a power of 2" +#endif + +#define _PyObject_VAR_SIZE(typeobj, nitems) \ + _Py_SIZE_ROUND_UP((typeobj)->tp_basicsize + \ + (nitems)*(typeobj)->tp_itemsize, \ + SIZEOF_VOID_P) + +#define PyObject_NEW(type, typeobj) \ +( (type *) PyObject_Init( \ + (PyObject *) PyObject_MALLOC( _PyObject_SIZE(typeobj) ), (typeobj)) ) + +#define PyObject_NEW_VAR(type, typeobj, n) \ +( (type *) PyObject_InitVar( \ + (PyVarObject *) PyObject_MALLOC(_PyObject_VAR_SIZE((typeobj),(n)) ),\ + (typeobj), (n)) ) + +/* This example code implements an object constructor with a custom + allocator, where PyObject_New is inlined, and shows the important + distinction between two steps (at least): + 1) the actual allocation of the object storage; + 2) the initialization of the Python specific fields + in this storage with PyObject_{Init, InitVar}. + + PyObject * + YourObject_New(...) + { + PyObject *op; + + op = (PyObject *) Your_Allocator(_PyObject_SIZE(YourTypeStruct)); + if (op == NULL) + return PyErr_NoMemory(); + + PyObject_Init(op, &YourTypeStruct); + + op->ob_field = value; + ... + return op; + } + + Note that in C++, the use of the new operator usually implies that + the 1st step is performed automatically for you, so in a C++ class + constructor you would start directly with PyObject_Init/InitVar +*/ + + + +/* + * Garbage Collection Support + * ========================== + */ + +/* C equivalent of gc.collect() which ignores the state of gc.enabled. */ +PyAPI_FUNC(Py_ssize_t) PyGC_Collect(void); + +/* Test if a type has a GC head */ +#define PyType_IS_GC(t) PyType_HasFeature((t), Py_TPFLAGS_HAVE_GC) + +PyAPI_FUNC(PyVarObject *) _PyObject_GC_Resize(PyVarObject *, Py_ssize_t); +#define PyObject_GC_Resize(type, op, n) \ + ( (type *) _PyObject_GC_Resize(_PyVarObject_CAST(op), (n)) ) + + + +PyAPI_FUNC(PyObject *) _PyObject_GC_New(PyTypeObject *); +PyAPI_FUNC(PyVarObject *) _PyObject_GC_NewVar(PyTypeObject *, Py_ssize_t); + +/* Tell the GC to track this object. + * + * See also private _PyObject_GC_TRACK() macro. */ +PyAPI_FUNC(void) PyObject_GC_Track(void *); + +/* Tell the GC to stop tracking this object. + * + * See also private _PyObject_GC_UNTRACK() macro. */ +PyAPI_FUNC(void) PyObject_GC_UnTrack(void *); + +PyAPI_FUNC(void) PyObject_GC_Del(void *); + +#define PyObject_GC_New(type, typeobj) \ + ( (type *) _PyObject_GC_New(typeobj) ) +#define PyObject_GC_NewVar(type, typeobj, n) \ + ( (type *) _PyObject_GC_NewVar((typeobj), (n)) ) + + +/* Utility macro to help write tp_traverse functions. + * To use this macro, the tp_traverse function must name its arguments + * "visit" and "arg". This is intended to keep tp_traverse functions + * looking as much alike as possible. + */ +#define Py_VISIT(op) \ + do { \ + if (op) { \ + int vret = visit(_PyObject_CAST(op), arg); \ + if (vret) \ + return vret; \ + } \ + } while (0) + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_OBJIMPL_H +# include "cpython/objimpl.h" +# undef Py_CPYTHON_OBJIMPL_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_OBJIMPL_H */ diff --git a/python-headers-win/Include/odictobject.h b/python-headers-win/Include/odictobject.h new file mode 100644 index 000000000..35aff8a29 --- /dev/null +++ b/python-headers-win/Include/odictobject.h @@ -0,0 +1,43 @@ +#ifndef Py_ODICTOBJECT_H +#define Py_ODICTOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + + +/* OrderedDict */ +/* This API is optional and mostly redundant. */ + +#ifndef Py_LIMITED_API + +typedef struct _odictobject PyODictObject; + +PyAPI_DATA(PyTypeObject) PyODict_Type; +PyAPI_DATA(PyTypeObject) PyODictIter_Type; +PyAPI_DATA(PyTypeObject) PyODictKeys_Type; +PyAPI_DATA(PyTypeObject) PyODictItems_Type; +PyAPI_DATA(PyTypeObject) PyODictValues_Type; + +#define PyODict_Check(op) PyObject_TypeCheck(op, &PyODict_Type) +#define PyODict_CheckExact(op) (Py_TYPE(op) == &PyODict_Type) +#define PyODict_SIZE(op) PyDict_GET_SIZE((op)) + +PyAPI_FUNC(PyObject *) PyODict_New(void); +PyAPI_FUNC(int) PyODict_SetItem(PyObject *od, PyObject *key, PyObject *item); +PyAPI_FUNC(int) PyODict_DelItem(PyObject *od, PyObject *key); + +/* wrappers around PyDict* functions */ +#define PyODict_GetItem(od, key) PyDict_GetItem(_PyObject_CAST(od), key) +#define PyODict_GetItemWithError(od, key) \ + PyDict_GetItemWithError(_PyObject_CAST(od), key) +#define PyODict_Contains(od, key) PyDict_Contains(_PyObject_CAST(od), key) +#define PyODict_Size(od) PyDict_Size(_PyObject_CAST(od)) +#define PyODict_GetItemString(od, key) \ + PyDict_GetItemString(_PyObject_CAST(od), key) + +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_ODICTOBJECT_H */ diff --git a/python-headers-win/Include/opcode.h b/python-headers-win/Include/opcode.h new file mode 100644 index 000000000..2a29e9788 --- /dev/null +++ b/python-headers-win/Include/opcode.h @@ -0,0 +1,148 @@ +/* Auto-generated by Tools/scripts/generate_opcode_h.py from Lib/opcode.py */ +#ifndef Py_OPCODE_H +#define Py_OPCODE_H +#ifdef __cplusplus +extern "C" { +#endif + + + /* Instruction opcodes for compiled code */ +#define POP_TOP 1 +#define ROT_TWO 2 +#define ROT_THREE 3 +#define DUP_TOP 4 +#define DUP_TOP_TWO 5 +#define ROT_FOUR 6 +#define NOP 9 +#define UNARY_POSITIVE 10 +#define UNARY_NEGATIVE 11 +#define UNARY_NOT 12 +#define UNARY_INVERT 15 +#define BINARY_MATRIX_MULTIPLY 16 +#define INPLACE_MATRIX_MULTIPLY 17 +#define BINARY_POWER 19 +#define BINARY_MULTIPLY 20 +#define BINARY_MODULO 22 +#define BINARY_ADD 23 +#define BINARY_SUBTRACT 24 +#define BINARY_SUBSCR 25 +#define BINARY_FLOOR_DIVIDE 26 +#define BINARY_TRUE_DIVIDE 27 +#define INPLACE_FLOOR_DIVIDE 28 +#define INPLACE_TRUE_DIVIDE 29 +#define GET_AITER 50 +#define GET_ANEXT 51 +#define BEFORE_ASYNC_WITH 52 +#define BEGIN_FINALLY 53 +#define END_ASYNC_FOR 54 +#define INPLACE_ADD 55 +#define INPLACE_SUBTRACT 56 +#define INPLACE_MULTIPLY 57 +#define INPLACE_MODULO 59 +#define STORE_SUBSCR 60 +#define DELETE_SUBSCR 61 +#define BINARY_LSHIFT 62 +#define BINARY_RSHIFT 63 +#define BINARY_AND 64 +#define BINARY_XOR 65 +#define BINARY_OR 66 +#define INPLACE_POWER 67 +#define GET_ITER 68 +#define GET_YIELD_FROM_ITER 69 +#define PRINT_EXPR 70 +#define LOAD_BUILD_CLASS 71 +#define YIELD_FROM 72 +#define GET_AWAITABLE 73 +#define INPLACE_LSHIFT 75 +#define INPLACE_RSHIFT 76 +#define INPLACE_AND 77 +#define INPLACE_XOR 78 +#define INPLACE_OR 79 +#define WITH_CLEANUP_START 81 +#define WITH_CLEANUP_FINISH 82 +#define RETURN_VALUE 83 +#define IMPORT_STAR 84 +#define SETUP_ANNOTATIONS 85 +#define YIELD_VALUE 86 +#define POP_BLOCK 87 +#define END_FINALLY 88 +#define POP_EXCEPT 89 +#define HAVE_ARGUMENT 90 +#define STORE_NAME 90 +#define DELETE_NAME 91 +#define UNPACK_SEQUENCE 92 +#define FOR_ITER 93 +#define UNPACK_EX 94 +#define STORE_ATTR 95 +#define DELETE_ATTR 96 +#define STORE_GLOBAL 97 +#define DELETE_GLOBAL 98 +#define LOAD_CONST 100 +#define LOAD_NAME 101 +#define BUILD_TUPLE 102 +#define BUILD_LIST 103 +#define BUILD_SET 104 +#define BUILD_MAP 105 +#define LOAD_ATTR 106 +#define COMPARE_OP 107 +#define IMPORT_NAME 108 +#define IMPORT_FROM 109 +#define JUMP_FORWARD 110 +#define JUMP_IF_FALSE_OR_POP 111 +#define JUMP_IF_TRUE_OR_POP 112 +#define JUMP_ABSOLUTE 113 +#define POP_JUMP_IF_FALSE 114 +#define POP_JUMP_IF_TRUE 115 +#define LOAD_GLOBAL 116 +#define SETUP_FINALLY 122 +#define LOAD_FAST 124 +#define STORE_FAST 125 +#define DELETE_FAST 126 +#define RAISE_VARARGS 130 +#define CALL_FUNCTION 131 +#define MAKE_FUNCTION 132 +#define BUILD_SLICE 133 +#define LOAD_CLOSURE 135 +#define LOAD_DEREF 136 +#define STORE_DEREF 137 +#define DELETE_DEREF 138 +#define CALL_FUNCTION_KW 141 +#define CALL_FUNCTION_EX 142 +#define SETUP_WITH 143 +#define EXTENDED_ARG 144 +#define LIST_APPEND 145 +#define SET_ADD 146 +#define MAP_ADD 147 +#define LOAD_CLASSDEREF 148 +#define BUILD_LIST_UNPACK 149 +#define BUILD_MAP_UNPACK 150 +#define BUILD_MAP_UNPACK_WITH_CALL 151 +#define BUILD_TUPLE_UNPACK 152 +#define BUILD_SET_UNPACK 153 +#define SETUP_ASYNC_WITH 154 +#define FORMAT_VALUE 155 +#define BUILD_CONST_KEY_MAP 156 +#define BUILD_STRING 157 +#define BUILD_TUPLE_UNPACK_WITH_CALL 158 +#define LOAD_METHOD 160 +#define CALL_METHOD 161 +#define CALL_FINALLY 162 +#define POP_FINALLY 163 + +/* EXCEPT_HANDLER is a special, implicit block type which is created when + entering an except handler. It is not an opcode but we define it here + as we want it to be available to both frameobject.c and ceval.c, while + remaining private.*/ +#define EXCEPT_HANDLER 257 + + +enum cmp_op {PyCmp_LT=Py_LT, PyCmp_LE=Py_LE, PyCmp_EQ=Py_EQ, PyCmp_NE=Py_NE, + PyCmp_GT=Py_GT, PyCmp_GE=Py_GE, PyCmp_IN, PyCmp_NOT_IN, + PyCmp_IS, PyCmp_IS_NOT, PyCmp_EXC_MATCH, PyCmp_BAD}; + +#define HAS_ARG(op) ((op) >= HAVE_ARGUMENT) + +#ifdef __cplusplus +} +#endif +#endif /* !Py_OPCODE_H */ diff --git a/python-headers-win/Include/osdefs.h b/python-headers-win/Include/osdefs.h new file mode 100644 index 000000000..3243944a1 --- /dev/null +++ b/python-headers-win/Include/osdefs.h @@ -0,0 +1,51 @@ +#ifndef Py_OSDEFS_H +#define Py_OSDEFS_H +#ifdef __cplusplus +extern "C" { +#endif + + +/* Operating system dependencies */ + +#ifdef MS_WINDOWS +#define SEP L'\\' +#define ALTSEP L'/' +#define MAXPATHLEN 256 +#define DELIM L';' +#endif + +#ifdef __VXWORKS__ +#define DELIM L';' +#endif + +/* Filename separator */ +#ifndef SEP +#define SEP L'/' +#endif + +/* Max pathname length */ +#ifdef __hpux +#include +#include +#ifndef PATH_MAX +#define PATH_MAX MAXPATHLEN +#endif +#endif + +#ifndef MAXPATHLEN +#if defined(PATH_MAX) && PATH_MAX > 1024 +#define MAXPATHLEN PATH_MAX +#else +#define MAXPATHLEN 1024 +#endif +#endif + +/* Search path entry delimiter */ +#ifndef DELIM +#define DELIM L':' +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_OSDEFS_H */ diff --git a/python-headers-win/Include/osmodule.h b/python-headers-win/Include/osmodule.h new file mode 100644 index 000000000..9095c2fdd --- /dev/null +++ b/python-headers-win/Include/osmodule.h @@ -0,0 +1,17 @@ + +/* os module interface */ + +#ifndef Py_OSMODULE_H +#define Py_OSMODULE_H +#ifdef __cplusplus +extern "C" { +#endif + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03060000 +PyAPI_FUNC(PyObject *) PyOS_FSPath(PyObject *path); +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_OSMODULE_H */ diff --git a/python-headers-win/Include/parsetok.h b/python-headers-win/Include/parsetok.h new file mode 100644 index 000000000..935d733e9 --- /dev/null +++ b/python-headers-win/Include/parsetok.h @@ -0,0 +1,110 @@ +/* Parser-tokenizer link interface */ + +#ifndef Py_LIMITED_API +#ifndef Py_PARSETOK_H +#define Py_PARSETOK_H +#ifdef __cplusplus +extern "C" { +#endif + +#include "grammar.h" /* grammar */ +#include "node.h" /* node */ + +typedef struct { + int error; + PyObject *filename; + int lineno; + int offset; + char *text; /* UTF-8-encoded string */ + int token; + int expected; +} perrdetail; + +#if 0 +#define PyPARSE_YIELD_IS_KEYWORD 0x0001 +#endif + +#define PyPARSE_DONT_IMPLY_DEDENT 0x0002 + +#if 0 +#define PyPARSE_WITH_IS_KEYWORD 0x0003 +#define PyPARSE_PRINT_IS_FUNCTION 0x0004 +#define PyPARSE_UNICODE_LITERALS 0x0008 +#endif + +#define PyPARSE_IGNORE_COOKIE 0x0010 +#define PyPARSE_BARRY_AS_BDFL 0x0020 +#define PyPARSE_TYPE_COMMENTS 0x0040 +#define PyPARSE_ASYNC_HACKS 0x0080 + +PyAPI_FUNC(node *) PyParser_ParseString(const char *, grammar *, int, + perrdetail *); +PyAPI_FUNC(node *) PyParser_ParseFile (FILE *, const char *, grammar *, int, + const char *, const char *, + perrdetail *); + +PyAPI_FUNC(node *) PyParser_ParseStringFlags(const char *, grammar *, int, + perrdetail *, int); +PyAPI_FUNC(node *) PyParser_ParseFileFlags( + FILE *fp, + const char *filename, /* decoded from the filesystem encoding */ + const char *enc, + grammar *g, + int start, + const char *ps1, + const char *ps2, + perrdetail *err_ret, + int flags); +PyAPI_FUNC(node *) PyParser_ParseFileFlagsEx( + FILE *fp, + const char *filename, /* decoded from the filesystem encoding */ + const char *enc, + grammar *g, + int start, + const char *ps1, + const char *ps2, + perrdetail *err_ret, + int *flags); +PyAPI_FUNC(node *) PyParser_ParseFileObject( + FILE *fp, + PyObject *filename, + const char *enc, + grammar *g, + int start, + const char *ps1, + const char *ps2, + perrdetail *err_ret, + int *flags); + +PyAPI_FUNC(node *) PyParser_ParseStringFlagsFilename( + const char *s, + const char *filename, /* decoded from the filesystem encoding */ + grammar *g, + int start, + perrdetail *err_ret, + int flags); +PyAPI_FUNC(node *) PyParser_ParseStringFlagsFilenameEx( + const char *s, + const char *filename, /* decoded from the filesystem encoding */ + grammar *g, + int start, + perrdetail *err_ret, + int *flags); +PyAPI_FUNC(node *) PyParser_ParseStringObject( + const char *s, + PyObject *filename, + grammar *g, + int start, + perrdetail *err_ret, + int *flags); + +/* Note that the following functions are defined in pythonrun.c, + not in parsetok.c */ +PyAPI_FUNC(void) PyParser_SetError(perrdetail *); +PyAPI_FUNC(void) PyParser_ClearError(perrdetail *); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_PARSETOK_H */ +#endif /* !Py_LIMITED_API */ diff --git a/python-headers-win/Include/patchlevel.h b/python-headers-win/Include/patchlevel.h new file mode 100644 index 000000000..6936a3fee --- /dev/null +++ b/python-headers-win/Include/patchlevel.h @@ -0,0 +1,35 @@ + +/* Python version identification scheme. + + When the major or minor version changes, the VERSION variable in + configure.ac must also be changed. + + There is also (independent) API version information in modsupport.h. +*/ + +/* Values for PY_RELEASE_LEVEL */ +#define PY_RELEASE_LEVEL_ALPHA 0xA +#define PY_RELEASE_LEVEL_BETA 0xB +#define PY_RELEASE_LEVEL_GAMMA 0xC /* For release candidates */ +#define PY_RELEASE_LEVEL_FINAL 0xF /* Serial should be 0 here */ + /* Higher for patch releases */ + +/* Version parsed out into numeric values */ +/*--start constants--*/ +#define PY_MAJOR_VERSION 3 +#define PY_MINOR_VERSION 8 +#define PY_MICRO_VERSION 1 +#define PY_RELEASE_LEVEL PY_RELEASE_LEVEL_FINAL +#define PY_RELEASE_SERIAL 0 + +/* Version as a string */ +#define PY_VERSION "3.8.1" +/*--end constants--*/ + +/* Version as a single 4-byte hex number, e.g. 0x010502B2 == 1.5.2b2. + Use this for numeric comparisons, e.g. #if PY_VERSION_HEX >= ... */ +#define PY_VERSION_HEX ((PY_MAJOR_VERSION << 24) | \ + (PY_MINOR_VERSION << 16) | \ + (PY_MICRO_VERSION << 8) | \ + (PY_RELEASE_LEVEL << 4) | \ + (PY_RELEASE_SERIAL << 0)) diff --git a/python-headers-win/Include/picklebufobject.h b/python-headers-win/Include/picklebufobject.h new file mode 100644 index 000000000..f07e900bf --- /dev/null +++ b/python-headers-win/Include/picklebufobject.h @@ -0,0 +1,31 @@ +/* PickleBuffer object. This is built-in for ease of use from third-party + * C extensions. + */ + +#ifndef Py_PICKLEBUFOBJECT_H +#define Py_PICKLEBUFOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API + +PyAPI_DATA(PyTypeObject) PyPickleBuffer_Type; + +#define PyPickleBuffer_Check(op) (Py_TYPE(op) == &PyPickleBuffer_Type) + +/* Create a PickleBuffer redirecting to the given buffer-enabled object */ +PyAPI_FUNC(PyObject *) PyPickleBuffer_FromObject(PyObject *); +/* Get the PickleBuffer's underlying view to the original object + * (NULL if released) + */ +PyAPI_FUNC(const Py_buffer *) PyPickleBuffer_GetBuffer(PyObject *); +/* Release the PickleBuffer. Returns 0 on success, -1 on error. */ +PyAPI_FUNC(int) PyPickleBuffer_Release(PyObject *); + +#endif /* !Py_LIMITED_API */ + +#ifdef __cplusplus +} +#endif +#endif /* !Py_PICKLEBUFOBJECT_H */ diff --git a/python-headers-win/Include/py_curses.h b/python-headers-win/Include/py_curses.h new file mode 100644 index 000000000..2702b37ea --- /dev/null +++ b/python-headers-win/Include/py_curses.h @@ -0,0 +1,100 @@ + +#ifndef Py_CURSES_H +#define Py_CURSES_H + +#ifdef __APPLE__ +/* +** On Mac OS X 10.2 [n]curses.h and stdlib.h use different guards +** against multiple definition of wchar_t. +*/ +#ifdef _BSD_WCHAR_T_DEFINED_ +#define _WCHAR_T +#endif +#endif /* __APPLE__ */ + +/* On FreeBSD, [n]curses.h and stdlib.h/wchar.h use different guards + against multiple definition of wchar_t and wint_t. */ +#if defined(__FreeBSD__) && defined(_XOPEN_SOURCE_EXTENDED) +# ifndef __wchar_t +# define __wchar_t +# endif +# ifndef __wint_t +# define __wint_t +# endif +#endif + +#if !defined(HAVE_CURSES_IS_PAD) && defined(WINDOW_HAS_FLAGS) +/* The following definition is necessary for ncurses 5.7; without it, + some of [n]curses.h set NCURSES_OPAQUE to 1, and then Python + can't get at the WINDOW flags field. */ +#define NCURSES_OPAQUE 0 +#endif + +#ifdef HAVE_NCURSES_H +#include +#else +#include +#endif + +#ifdef HAVE_NCURSES_H +/* configure was checking , but we will + use , which has some or all these features. */ +#if !defined(WINDOW_HAS_FLAGS) && !(NCURSES_OPAQUE+0) +#define WINDOW_HAS_FLAGS 1 +#endif +#if !defined(HAVE_CURSES_IS_PAD) && NCURSES_VERSION_PATCH+0 >= 20090906 +#define HAVE_CURSES_IS_PAD 1 +#endif +#ifndef MVWDELCH_IS_EXPRESSION +#define MVWDELCH_IS_EXPRESSION 1 +#endif +#endif + +#ifdef __cplusplus +extern "C" { +#endif + +#define PyCurses_API_pointers 4 + +/* Type declarations */ + +typedef struct { + PyObject_HEAD + WINDOW *win; + char *encoding; +} PyCursesWindowObject; + +#define PyCursesWindow_Check(v) (Py_TYPE(v) == &PyCursesWindow_Type) + +#define PyCurses_CAPSULE_NAME "_curses._C_API" + + +#ifdef CURSES_MODULE +/* This section is used when compiling _cursesmodule.c */ + +#else +/* This section is used in modules that use the _cursesmodule API */ + +static void **PyCurses_API; + +#define PyCursesWindow_Type (*(PyTypeObject *) PyCurses_API[0]) +#define PyCursesSetupTermCalled {if (! ((int (*)(void))PyCurses_API[1]) () ) return NULL;} +#define PyCursesInitialised {if (! ((int (*)(void))PyCurses_API[2]) () ) return NULL;} +#define PyCursesInitialisedColor {if (! ((int (*)(void))PyCurses_API[3]) () ) return NULL;} + +#define import_curses() \ + PyCurses_API = (void **)PyCapsule_Import(PyCurses_CAPSULE_NAME, 1); + +#endif + +/* general error messages */ +static const char catchall_ERR[] = "curses function returned ERR"; +static const char catchall_NULL[] = "curses function returned NULL"; + +#ifdef __cplusplus +} +#endif + +#endif /* !defined(Py_CURSES_H) */ + + diff --git a/python-headers-win/Include/pyarena.h b/python-headers-win/Include/pyarena.h new file mode 100644 index 000000000..db3ad0188 --- /dev/null +++ b/python-headers-win/Include/pyarena.h @@ -0,0 +1,64 @@ +/* An arena-like memory interface for the compiler. + */ + +#ifndef Py_LIMITED_API +#ifndef Py_PYARENA_H +#define Py_PYARENA_H + +#ifdef __cplusplus +extern "C" { +#endif + + typedef struct _arena PyArena; + + /* PyArena_New() and PyArena_Free() create a new arena and free it, + respectively. Once an arena has been created, it can be used + to allocate memory via PyArena_Malloc(). Pointers to PyObject can + also be registered with the arena via PyArena_AddPyObject(), and the + arena will ensure that the PyObjects stay alive at least until + PyArena_Free() is called. When an arena is freed, all the memory it + allocated is freed, the arena releases internal references to registered + PyObject*, and none of its pointers are valid. + XXX (tim) What does "none of its pointers are valid" mean? Does it + XXX mean that pointers previously obtained via PyArena_Malloc() are + XXX no longer valid? (That's clearly true, but not sure that's what + XXX the text is trying to say.) + + PyArena_New() returns an arena pointer. On error, it + returns a negative number and sets an exception. + XXX (tim): Not true. On error, PyArena_New() actually returns NULL, + XXX and looks like it may or may not set an exception (e.g., if the + XXX internal PyList_New(0) returns NULL, PyArena_New() passes that on + XXX and an exception is set; OTOH, if the internal + XXX block_new(DEFAULT_BLOCK_SIZE) returns NULL, that's passed on but + XXX an exception is not set in that case). + */ + PyAPI_FUNC(PyArena *) PyArena_New(void); + PyAPI_FUNC(void) PyArena_Free(PyArena *); + + /* Mostly like malloc(), return the address of a block of memory spanning + * `size` bytes, or return NULL (without setting an exception) if enough + * new memory can't be obtained. Unlike malloc(0), PyArena_Malloc() with + * size=0 does not guarantee to return a unique pointer (the pointer + * returned may equal one or more other pointers obtained from + * PyArena_Malloc()). + * Note that pointers obtained via PyArena_Malloc() must never be passed to + * the system free() or realloc(), or to any of Python's similar memory- + * management functions. PyArena_Malloc()-obtained pointers remain valid + * until PyArena_Free(ar) is called, at which point all pointers obtained + * from the arena `ar` become invalid simultaneously. + */ + PyAPI_FUNC(void *) PyArena_Malloc(PyArena *, size_t size); + + /* This routine isn't a proper arena allocation routine. It takes + * a PyObject* and records it so that it can be DECREFed when the + * arena is freed. + */ + PyAPI_FUNC(int) PyArena_AddPyObject(PyArena *, PyObject *); + +#ifdef __cplusplus +} +#endif + +#endif /* !Py_PYARENA_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/pycapsule.h b/python-headers-win/Include/pycapsule.h new file mode 100644 index 000000000..d9ecda7a4 --- /dev/null +++ b/python-headers-win/Include/pycapsule.h @@ -0,0 +1,59 @@ + +/* Capsule objects let you wrap a C "void *" pointer in a Python + object. They're a way of passing data through the Python interpreter + without creating your own custom type. + + Capsules are used for communication between extension modules. + They provide a way for an extension module to export a C interface + to other extension modules, so that extension modules can use the + Python import mechanism to link to one another. + + For more information, please see "c-api/capsule.html" in the + documentation. +*/ + +#ifndef Py_CAPSULE_H +#define Py_CAPSULE_H +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_DATA(PyTypeObject) PyCapsule_Type; + +typedef void (*PyCapsule_Destructor)(PyObject *); + +#define PyCapsule_CheckExact(op) (Py_TYPE(op) == &PyCapsule_Type) + + +PyAPI_FUNC(PyObject *) PyCapsule_New( + void *pointer, + const char *name, + PyCapsule_Destructor destructor); + +PyAPI_FUNC(void *) PyCapsule_GetPointer(PyObject *capsule, const char *name); + +PyAPI_FUNC(PyCapsule_Destructor) PyCapsule_GetDestructor(PyObject *capsule); + +PyAPI_FUNC(const char *) PyCapsule_GetName(PyObject *capsule); + +PyAPI_FUNC(void *) PyCapsule_GetContext(PyObject *capsule); + +PyAPI_FUNC(int) PyCapsule_IsValid(PyObject *capsule, const char *name); + +PyAPI_FUNC(int) PyCapsule_SetPointer(PyObject *capsule, void *pointer); + +PyAPI_FUNC(int) PyCapsule_SetDestructor(PyObject *capsule, PyCapsule_Destructor destructor); + +PyAPI_FUNC(int) PyCapsule_SetName(PyObject *capsule, const char *name); + +PyAPI_FUNC(int) PyCapsule_SetContext(PyObject *capsule, void *context); + +PyAPI_FUNC(void *) PyCapsule_Import( + const char *name, /* UTF-8 encoded string */ + int no_block); + + +#ifdef __cplusplus +} +#endif +#endif /* !Py_CAPSULE_H */ diff --git a/python-headers-win/Include/pyconfig.h b/python-headers-win/Include/pyconfig.h new file mode 100644 index 000000000..b40e24f43 --- /dev/null +++ b/python-headers-win/Include/pyconfig.h @@ -0,0 +1,687 @@ +#ifndef Py_CONFIG_H +#define Py_CONFIG_H + +/* pyconfig.h. NOT Generated automatically by configure. + +This is a manually maintained version used for the Watcom, +Borland and Microsoft Visual C++ compilers. It is a +standard part of the Python distribution. + +WINDOWS DEFINES: +The code specific to Windows should be wrapped around one of +the following #defines + +MS_WIN64 - Code specific to the MS Win64 API +MS_WIN32 - Code specific to the MS Win32 (and Win64) API (obsolete, this covers all supported APIs) +MS_WINDOWS - Code specific to Windows, but all versions. +Py_ENABLE_SHARED - Code if the Python core is built as a DLL. + +Also note that neither "_M_IX86" or "_MSC_VER" should be used for +any purpose other than "Windows Intel x86 specific" and "Microsoft +compiler specific". Therefore, these should be very rare. + + +NOTE: The following symbols are deprecated: +NT, USE_DL_EXPORT, USE_DL_IMPORT, DL_EXPORT, DL_IMPORT +MS_CORE_DLL. + +WIN32 is still required for the locale module. + +*/ + +/* Deprecated USE_DL_EXPORT macro - please use Py_BUILD_CORE */ +#ifdef USE_DL_EXPORT +# define Py_BUILD_CORE +#endif /* USE_DL_EXPORT */ + +/* Visual Studio 2005 introduces deprecation warnings for + "insecure" and POSIX functions. The insecure functions should + be replaced by *_s versions (according to Microsoft); the + POSIX functions by _* versions (which, according to Microsoft, + would be ISO C conforming). Neither renaming is feasible, so + we just silence the warnings. */ + +#ifndef _CRT_SECURE_NO_DEPRECATE +#define _CRT_SECURE_NO_DEPRECATE 1 +#endif +#ifndef _CRT_NONSTDC_NO_DEPRECATE +#define _CRT_NONSTDC_NO_DEPRECATE 1 +#endif + +#define HAVE_IO_H +#define HAVE_SYS_UTIME_H +#define HAVE_TEMPNAM +#define HAVE_TMPFILE +#define HAVE_TMPNAM +#define HAVE_CLOCK +#define HAVE_STRERROR + +#include + +#define HAVE_HYPOT +#define HAVE_STRFTIME +#define DONT_HAVE_SIG_ALARM +#define DONT_HAVE_SIG_PAUSE +#define LONG_BIT 32 +#define WORD_BIT 32 + +#define MS_WIN32 /* only support win32 and greater. */ +#define MS_WINDOWS +#ifndef PYTHONPATH +# define PYTHONPATH L".\\DLLs;.\\lib" +#endif +#define NT_THREADS +#define WITH_THREAD +#ifndef NETSCAPE_PI +#define USE_SOCKET +#endif + + +/* Compiler specific defines */ + +/* ------------------------------------------------------------------------*/ +/* Microsoft C defines _MSC_VER */ +#ifdef _MSC_VER + +/* We want COMPILER to expand to a string containing _MSC_VER's *value*. + * This is horridly tricky, because the stringization operator only works + * on macro arguments, and doesn't evaluate macros passed *as* arguments. + * Attempts simpler than the following appear doomed to produce "_MSC_VER" + * literally in the string. + */ +#define _Py_PASTE_VERSION(SUFFIX) \ + ("[MSC v." _Py_STRINGIZE(_MSC_VER) " " SUFFIX "]") +/* e.g., this produces, after compile-time string catenation, + * ("[MSC v.1200 32 bit (Intel)]") + * + * _Py_STRINGIZE(_MSC_VER) expands to + * _Py_STRINGIZE1((_MSC_VER)) expands to + * _Py_STRINGIZE2(_MSC_VER) but as this call is the result of token-pasting + * it's scanned again for macros and so further expands to (under MSVC 6) + * _Py_STRINGIZE2(1200) which then expands to + * "1200" + */ +#define _Py_STRINGIZE(X) _Py_STRINGIZE1((X)) +#define _Py_STRINGIZE1(X) _Py_STRINGIZE2 ## X +#define _Py_STRINGIZE2(X) #X + +/* MSVC defines _WINxx to differentiate the windows platform types + + Note that for compatibility reasons _WIN32 is defined on Win32 + *and* on Win64. For the same reasons, in Python, MS_WIN32 is + defined on Win32 *and* Win64. Win32 only code must therefore be + guarded as follows: + #if defined(MS_WIN32) && !defined(MS_WIN64) +*/ +#ifdef _WIN64 +#define MS_WIN64 +#endif + +/* set the COMPILER */ +#ifdef MS_WIN64 +#if defined(_M_X64) || defined(_M_AMD64) +#if defined(__INTEL_COMPILER) +#define COMPILER ("[ICC v." _Py_STRINGIZE(__INTEL_COMPILER) " 64 bit (amd64) with MSC v." _Py_STRINGIZE(_MSC_VER) " CRT]") +#else +#define COMPILER _Py_PASTE_VERSION("64 bit (AMD64)") +#endif /* __INTEL_COMPILER */ +#define PYD_PLATFORM_TAG "win_amd64" +#elif defined(_M_ARM64) +#define COMPILER _Py_PASTE_VERSION("64 bit (ARM64)") +#define PYD_PLATFORM_TAG "win_arm64" +#else +#define COMPILER _Py_PASTE_VERSION("64 bit (Unknown)") +#endif +#endif /* MS_WIN64 */ + +/* set the version macros for the windows headers */ +/* Python 3.5+ requires Windows Vista or greater */ +#define Py_WINVER 0x0600 /* _WIN32_WINNT_VISTA */ +#define Py_NTDDI NTDDI_VISTA + +/* We only set these values when building Python - we don't want to force + these values on extensions, as that will affect the prototypes and + structures exposed in the Windows headers. Even when building Python, we + allow a single source file to override this - they may need access to + structures etc so it can optionally use new Windows features if it + determines at runtime they are available. +*/ +#if defined(Py_BUILD_CORE) || defined(Py_BUILD_CORE_BUILTIN) || defined(Py_BUILD_CORE_MODULE) +#ifndef NTDDI_VERSION +#define NTDDI_VERSION Py_NTDDI +#endif +#ifndef WINVER +#define WINVER Py_WINVER +#endif +#ifndef _WIN32_WINNT +#define _WIN32_WINNT Py_WINVER +#endif +#endif + +/* _W64 is not defined for VC6 or eVC4 */ +#ifndef _W64 +#define _W64 +#endif + +/* Define like size_t, omitting the "unsigned" */ +#ifdef MS_WIN64 +typedef __int64 ssize_t; +#else +typedef _W64 int ssize_t; +#endif +#define HAVE_SSIZE_T 1 + +#if defined(MS_WIN32) && !defined(MS_WIN64) +#if defined(_M_IX86) +#if defined(__INTEL_COMPILER) +#define COMPILER ("[ICC v." _Py_STRINGIZE(__INTEL_COMPILER) " 32 bit (Intel) with MSC v." _Py_STRINGIZE(_MSC_VER) " CRT]") +#else +#define COMPILER _Py_PASTE_VERSION("32 bit (Intel)") +#endif /* __INTEL_COMPILER */ +#define PYD_PLATFORM_TAG "win32" +#elif defined(_M_ARM) +#define COMPILER _Py_PASTE_VERSION("32 bit (ARM)") +#define PYD_PLATFORM_TAG "win_arm32" +#else +#define COMPILER _Py_PASTE_VERSION("32 bit (Unknown)") +#endif +#endif /* MS_WIN32 && !MS_WIN64 */ + +typedef int pid_t; + +#include +#define Py_IS_NAN _isnan +#define Py_IS_INFINITY(X) (!_finite(X) && !_isnan(X)) +#define Py_IS_FINITE(X) _finite(X) +#define copysign _copysign + +/* Side by Side assemblies supported in VS 2005 and VS 2008 but not 2010*/ +#if _MSC_VER >= 1400 && _MSC_VER < 1600 +#define HAVE_SXS 1 +#endif + +/* define some ANSI types that are not defined in earlier Win headers */ +#if _MSC_VER >= 1200 +/* This file only exists in VC 6.0 or higher */ +#include +#endif + +#endif /* _MSC_VER */ + +/* ------------------------------------------------------------------------*/ +/* egcs/gnu-win32 defines __GNUC__ and _WIN32 */ +#if defined(__GNUC__) && defined(_WIN32) +/* XXX These defines are likely incomplete, but should be easy to fix. + They should be complete enough to build extension modules. */ +/* Suggested by Rene Liebscher to avoid a GCC 2.91.* + bug that requires structure imports. More recent versions of the + compiler don't exhibit this bug. +*/ +#if (__GNUC__==2) && (__GNUC_MINOR__<=91) +#warning "Please use an up-to-date version of gcc! (>2.91 recommended)" +#endif + +#define COMPILER "[gcc]" +#define PY_LONG_LONG long long +#define PY_LLONG_MIN LLONG_MIN +#define PY_LLONG_MAX LLONG_MAX +#define PY_ULLONG_MAX ULLONG_MAX +#endif /* GNUC */ + +/* ------------------------------------------------------------------------*/ +/* lcc-win32 defines __LCC__ */ +#if defined(__LCC__) +/* XXX These defines are likely incomplete, but should be easy to fix. + They should be complete enough to build extension modules. */ + +#define COMPILER "[lcc-win32]" +typedef int pid_t; +/* __declspec() is supported here too - do nothing to get the defaults */ + +#endif /* LCC */ + +/* ------------------------------------------------------------------------*/ +/* End of compilers - finish up */ + +#ifndef NO_STDIO_H +# include +#endif + +/* 64 bit ints are usually spelt __int64 unless compiler has overridden */ +#ifndef PY_LONG_LONG +# define PY_LONG_LONG __int64 +# define PY_LLONG_MAX _I64_MAX +# define PY_LLONG_MIN _I64_MIN +# define PY_ULLONG_MAX _UI64_MAX +#endif + +/* For Windows the Python core is in a DLL by default. Test +Py_NO_ENABLE_SHARED to find out. Also support MS_NO_COREDLL for b/w compat */ +#if !defined(MS_NO_COREDLL) && !defined(Py_NO_ENABLE_SHARED) +# define Py_ENABLE_SHARED 1 /* standard symbol for shared library */ +# define MS_COREDLL /* deprecated old symbol */ +#endif /* !MS_NO_COREDLL && ... */ + +/* All windows compilers that use this header support __declspec */ +#define HAVE_DECLSPEC_DLL + +/* For an MSVC DLL, we can nominate the .lib files used by extensions */ +#ifdef MS_COREDLL +# if !defined(Py_BUILD_CORE) && !defined(Py_BUILD_CORE_BUILTIN) + /* not building the core - must be an ext */ +# if defined(_MSC_VER) + /* So MSVC users need not specify the .lib + file in their Makefile (other compilers are + generally taken care of by distutils.) */ +# if defined(_DEBUG) +# pragma comment(lib,"python38_d.lib") +# elif defined(Py_LIMITED_API) +# pragma comment(lib,"python3.lib") +# else +# pragma comment(lib,"python38.lib") +# endif /* _DEBUG */ +# endif /* _MSC_VER */ +# endif /* Py_BUILD_CORE */ +#endif /* MS_COREDLL */ + +#if defined(MS_WIN64) +/* maintain "win32" sys.platform for backward compatibility of Python code, + the Win64 API should be close enough to the Win32 API to make this + preferable */ +# define PLATFORM "win32" +# define SIZEOF_VOID_P 8 +# define SIZEOF_TIME_T 8 +# define SIZEOF_OFF_T 4 +# define SIZEOF_FPOS_T 8 +# define SIZEOF_HKEY 8 +# define SIZEOF_SIZE_T 8 +/* configure.ac defines HAVE_LARGEFILE_SUPPORT iff + sizeof(off_t) > sizeof(long), and sizeof(PY_LONG_LONG) >= sizeof(off_t). + On Win64 the second condition is not true, but if fpos_t replaces off_t + then this is true. The uses of HAVE_LARGEFILE_SUPPORT imply that Win64 + should define this. */ +# define HAVE_LARGEFILE_SUPPORT +#elif defined(MS_WIN32) +# define PLATFORM "win32" +# define HAVE_LARGEFILE_SUPPORT +# define SIZEOF_VOID_P 4 +# define SIZEOF_OFF_T 4 +# define SIZEOF_FPOS_T 8 +# define SIZEOF_HKEY 4 +# define SIZEOF_SIZE_T 4 + /* MS VS2005 changes time_t to a 64-bit type on all platforms */ +# if defined(_MSC_VER) && _MSC_VER >= 1400 +# define SIZEOF_TIME_T 8 +# else +# define SIZEOF_TIME_T 4 +# endif +#endif + +#ifdef _DEBUG +# define Py_DEBUG +#endif + + +#ifdef MS_WIN32 + +#define SIZEOF_SHORT 2 +#define SIZEOF_INT 4 +#define SIZEOF_LONG 4 +#define SIZEOF_LONG_LONG 8 +#define SIZEOF_DOUBLE 8 +#define SIZEOF_FLOAT 4 + +/* VC 7.1 has them and VC 6.0 does not. VC 6.0 has a version number of 1200. + Microsoft eMbedded Visual C++ 4.0 has a version number of 1201 and doesn't + define these. + If some compiler does not provide them, modify the #if appropriately. */ +#if defined(_MSC_VER) +#if _MSC_VER > 1300 +#define HAVE_UINTPTR_T 1 +#define HAVE_INTPTR_T 1 +#else +/* VC6, VS 2002 and eVC4 don't support the C99 LL suffix for 64-bit integer literals */ +#define Py_LL(x) x##I64 +#endif /* _MSC_VER > 1300 */ +#endif /* _MSC_VER */ + +#endif + +/* define signed and unsigned exact-width 32-bit and 64-bit types, used in the + implementation of Python integers. */ +#define PY_UINT32_T uint32_t +#define PY_UINT64_T uint64_t +#define PY_INT32_T int32_t +#define PY_INT64_T int64_t + +/* Fairly standard from here! */ + +/* Define to 1 if you have the `copysign' function. */ +#define HAVE_COPYSIGN 1 + +/* Define to 1 if you have the `round' function. */ +#if _MSC_VER >= 1800 +#define HAVE_ROUND 1 +#endif + +/* Define to 1 if you have the `isinf' macro. */ +#define HAVE_DECL_ISINF 1 + +/* Define to 1 if you have the `isnan' function. */ +#define HAVE_DECL_ISNAN 1 + +/* Define if on AIX 3. + System headers sometimes define this. + We just want to avoid a redefinition error message. */ +#ifndef _ALL_SOURCE +/* #undef _ALL_SOURCE */ +#endif + +/* Define to empty if the keyword does not work. */ +/* #define const */ + +/* Define to 1 if you have the header file. */ +#define HAVE_CONIO_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_DIRECT_H 1 + +/* Define to 1 if you have the declaration of `tzname', and to 0 if you don't. + */ +#define HAVE_DECL_TZNAME 1 + +/* Define if you have dirent.h. */ +/* #define DIRENT 1 */ + +/* Define to the type of elements in the array set by `getgroups'. + Usually this is either `int' or `gid_t'. */ +/* #undef GETGROUPS_T */ + +/* Define to `int' if doesn't define. */ +/* #undef gid_t */ + +/* Define if your struct tm has tm_zone. */ +/* #undef HAVE_TM_ZONE */ + +/* Define if you don't have tm_zone but do have the external array + tzname. */ +#define HAVE_TZNAME + +/* Define to `int' if doesn't define. */ +/* #undef mode_t */ + +/* Define if you don't have dirent.h, but have ndir.h. */ +/* #undef NDIR */ + +/* Define to `long' if doesn't define. */ +/* #undef off_t */ + +/* Define to `int' if doesn't define. */ +/* #undef pid_t */ + +/* Define if the system does not provide POSIX.1 features except + with this defined. */ +/* #undef _POSIX_1_SOURCE */ + +/* Define if you need to in order for stat and other things to work. */ +/* #undef _POSIX_SOURCE */ + +/* Define as the return type of signal handlers (int or void). */ +#define RETSIGTYPE void + +/* Define to `unsigned' if doesn't define. */ +/* #undef size_t */ + +/* Define if you have the ANSI C header files. */ +#define STDC_HEADERS 1 + +/* Define if you don't have dirent.h, but have sys/dir.h. */ +/* #undef SYSDIR */ + +/* Define if you don't have dirent.h, but have sys/ndir.h. */ +/* #undef SYSNDIR */ + +/* Define if you can safely include both and . */ +/* #undef TIME_WITH_SYS_TIME */ + +/* Define if your declares struct tm. */ +/* #define TM_IN_SYS_TIME 1 */ + +/* Define to `int' if doesn't define. */ +/* #undef uid_t */ + +/* Define if the closedir function returns void instead of int. */ +/* #undef VOID_CLOSEDIR */ + +/* Define if getpgrp() must be called as getpgrp(0) + and (consequently) setpgrp() as setpgrp(0, 0). */ +/* #undef GETPGRP_HAVE_ARGS */ + +/* Define this if your time.h defines altzone */ +/* #define HAVE_ALTZONE */ + +/* Define if you have the putenv function. */ +#define HAVE_PUTENV + +/* Define if your compiler supports function prototypes */ +#define HAVE_PROTOTYPES + +/* Define if you can safely include both and + (which you can't on SCO ODT 3.0). */ +/* #undef SYS_SELECT_WITH_SYS_TIME */ + +/* Define if you want documentation strings in extension modules */ +#define WITH_DOC_STRINGS 1 + +/* Define if you want to compile in rudimentary thread support */ +/* #undef WITH_THREAD */ + +/* Define if you want to use the GNU readline library */ +/* #define WITH_READLINE 1 */ + +/* Use Python's own small-block memory-allocator. */ +#define WITH_PYMALLOC 1 + +/* Define if you have clock. */ +/* #define HAVE_CLOCK */ + +/* Define when any dynamic module loading is enabled */ +#define HAVE_DYNAMIC_LOADING + +/* Define if you have ftime. */ +#define HAVE_FTIME + +/* Define if you have getpeername. */ +#define HAVE_GETPEERNAME + +/* Define if you have getpgrp. */ +/* #undef HAVE_GETPGRP */ + +/* Define if you have getpid. */ +#define HAVE_GETPID + +/* Define if you have gettimeofday. */ +/* #undef HAVE_GETTIMEOFDAY */ + +/* Define if you have getwd. */ +/* #undef HAVE_GETWD */ + +/* Define if you have lstat. */ +/* #undef HAVE_LSTAT */ + +/* Define if you have the mktime function. */ +#define HAVE_MKTIME + +/* Define if you have nice. */ +/* #undef HAVE_NICE */ + +/* Define if you have readlink. */ +/* #undef HAVE_READLINK */ + +/* Define if you have setpgid. */ +/* #undef HAVE_SETPGID */ + +/* Define if you have setpgrp. */ +/* #undef HAVE_SETPGRP */ + +/* Define if you have setsid. */ +/* #undef HAVE_SETSID */ + +/* Define if you have setvbuf. */ +#define HAVE_SETVBUF + +/* Define if you have siginterrupt. */ +/* #undef HAVE_SIGINTERRUPT */ + +/* Define if you have symlink. */ +/* #undef HAVE_SYMLINK */ + +/* Define if you have tcgetpgrp. */ +/* #undef HAVE_TCGETPGRP */ + +/* Define if you have tcsetpgrp. */ +/* #undef HAVE_TCSETPGRP */ + +/* Define if you have times. */ +/* #undef HAVE_TIMES */ + +/* Define if you have uname. */ +/* #undef HAVE_UNAME */ + +/* Define if you have waitpid. */ +/* #undef HAVE_WAITPID */ + +/* Define to 1 if you have the `wcsftime' function. */ +#if defined(_MSC_VER) && _MSC_VER >= 1310 +#define HAVE_WCSFTIME 1 +#endif + +/* Define to 1 if you have the `wcscoll' function. */ +#define HAVE_WCSCOLL 1 + +/* Define to 1 if you have the `wcsxfrm' function. */ +#define HAVE_WCSXFRM 1 + +/* Define if the zlib library has inflateCopy */ +#define HAVE_ZLIB_COPY 1 + +/* Define if you have the header file. */ +/* #undef HAVE_DLFCN_H */ + +/* Define to 1 if you have the header file. */ +#define HAVE_ERRNO_H 1 + +/* Define if you have the header file. */ +#define HAVE_FCNTL_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_PROCESS_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_SIGNAL_H 1 + +/* Define if you have the prototypes. */ +#define HAVE_STDARG_PROTOTYPES + +/* Define if you have the header file. */ +#define HAVE_STDDEF_H 1 + +/* Define if you have the header file. */ +/* #undef HAVE_SYS_AUDIOIO_H */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_PARAM_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_SELECT_H 1 */ + +/* Define to 1 if you have the header file. */ +#define HAVE_SYS_STAT_H 1 + +/* Define if you have the header file. */ +/* #define HAVE_SYS_TIME_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_TIMES_H 1 */ + +/* Define to 1 if you have the header file. */ +#define HAVE_SYS_TYPES_H 1 + +/* Define if you have the header file. */ +/* #define HAVE_SYS_UN_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_UTIME_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_UTSNAME_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_UNISTD_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_UTIME_H 1 */ + +/* Define if the compiler provides a wchar.h header file. */ +#define HAVE_WCHAR_H 1 + +/* The size of `wchar_t', as computed by sizeof. */ +#define SIZEOF_WCHAR_T 2 + +/* The size of `_Bool', as computed by sizeof. */ +#define SIZEOF__BOOL 1 + +/* The size of `pid_t', as computed by sizeof. */ +#define SIZEOF_PID_T SIZEOF_INT + +/* Define if you have the dl library (-ldl). */ +/* #undef HAVE_LIBDL */ + +/* Define if you have the mpc library (-lmpc). */ +/* #undef HAVE_LIBMPC */ + +/* Define if you have the nsl library (-lnsl). */ +#define HAVE_LIBNSL 1 + +/* Define if you have the seq library (-lseq). */ +/* #undef HAVE_LIBSEQ */ + +/* Define if you have the socket library (-lsocket). */ +#define HAVE_LIBSOCKET 1 + +/* Define if you have the sun library (-lsun). */ +/* #undef HAVE_LIBSUN */ + +/* Define if you have the termcap library (-ltermcap). */ +/* #undef HAVE_LIBTERMCAP */ + +/* Define if you have the termlib library (-ltermlib). */ +/* #undef HAVE_LIBTERMLIB */ + +/* Define if you have the thread library (-lthread). */ +/* #undef HAVE_LIBTHREAD */ + +/* WinSock does not use a bitmask in select, and uses + socket handles greater than FD_SETSIZE */ +#define Py_SOCKET_FD_CAN_BE_GE_FD_SETSIZE + +/* Define if C doubles are 64-bit IEEE 754 binary format, stored with the + least significant byte first */ +#define DOUBLE_IS_LITTLE_ENDIAN_IEEE754 1 + +/* Define to 1 if you have the `erf' function. */ +#define HAVE_ERF 1 + +/* Define to 1 if you have the `erfc' function. */ +#define HAVE_ERFC 1 + +/* Define if you have the 'inet_pton' function. */ +#define HAVE_INET_PTON 1 + +/* framework name */ +#define _PYTHONFRAMEWORK "" + +/* Define if libssl has X509_VERIFY_PARAM_set1_host and related function */ +#define HAVE_X509_VERIFY_PARAM_SET1_HOST 1 + +#endif /* !Py_CONFIG_H */ diff --git a/python-headers-win/Include/pyctype.h b/python-headers-win/Include/pyctype.h new file mode 100644 index 000000000..6bce63eeb --- /dev/null +++ b/python-headers-win/Include/pyctype.h @@ -0,0 +1,33 @@ +#ifndef Py_LIMITED_API +#ifndef PYCTYPE_H +#define PYCTYPE_H + +#define PY_CTF_LOWER 0x01 +#define PY_CTF_UPPER 0x02 +#define PY_CTF_ALPHA (PY_CTF_LOWER|PY_CTF_UPPER) +#define PY_CTF_DIGIT 0x04 +#define PY_CTF_ALNUM (PY_CTF_ALPHA|PY_CTF_DIGIT) +#define PY_CTF_SPACE 0x08 +#define PY_CTF_XDIGIT 0x10 + +PyAPI_DATA(const unsigned int) _Py_ctype_table[256]; + +/* Unlike their C counterparts, the following macros are not meant to + * handle an int with any of the values [EOF, 0-UCHAR_MAX]. The argument + * must be a signed/unsigned char. */ +#define Py_ISLOWER(c) (_Py_ctype_table[Py_CHARMASK(c)] & PY_CTF_LOWER) +#define Py_ISUPPER(c) (_Py_ctype_table[Py_CHARMASK(c)] & PY_CTF_UPPER) +#define Py_ISALPHA(c) (_Py_ctype_table[Py_CHARMASK(c)] & PY_CTF_ALPHA) +#define Py_ISDIGIT(c) (_Py_ctype_table[Py_CHARMASK(c)] & PY_CTF_DIGIT) +#define Py_ISXDIGIT(c) (_Py_ctype_table[Py_CHARMASK(c)] & PY_CTF_XDIGIT) +#define Py_ISALNUM(c) (_Py_ctype_table[Py_CHARMASK(c)] & PY_CTF_ALNUM) +#define Py_ISSPACE(c) (_Py_ctype_table[Py_CHARMASK(c)] & PY_CTF_SPACE) + +PyAPI_DATA(const unsigned char) _Py_ctype_tolower[256]; +PyAPI_DATA(const unsigned char) _Py_ctype_toupper[256]; + +#define Py_TOLOWER(c) (_Py_ctype_tolower[Py_CHARMASK(c)]) +#define Py_TOUPPER(c) (_Py_ctype_toupper[Py_CHARMASK(c)]) + +#endif /* !PYCTYPE_H */ +#endif /* !Py_LIMITED_API */ diff --git a/python-headers-win/Include/pydebug.h b/python-headers-win/Include/pydebug.h new file mode 100644 index 000000000..bd4aafe3b --- /dev/null +++ b/python-headers-win/Include/pydebug.h @@ -0,0 +1,40 @@ +#ifndef Py_LIMITED_API +#ifndef Py_PYDEBUG_H +#define Py_PYDEBUG_H +#ifdef __cplusplus +extern "C" { +#endif + +/* These global variable are defined in pylifecycle.c */ +/* XXX (ncoghlan): move these declarations to pylifecycle.h? */ +PyAPI_DATA(int) Py_DebugFlag; +PyAPI_DATA(int) Py_VerboseFlag; +PyAPI_DATA(int) Py_QuietFlag; +PyAPI_DATA(int) Py_InteractiveFlag; +PyAPI_DATA(int) Py_InspectFlag; +PyAPI_DATA(int) Py_OptimizeFlag; +PyAPI_DATA(int) Py_NoSiteFlag; +PyAPI_DATA(int) Py_BytesWarningFlag; +PyAPI_DATA(int) Py_FrozenFlag; +PyAPI_DATA(int) Py_IgnoreEnvironmentFlag; +PyAPI_DATA(int) Py_DontWriteBytecodeFlag; +PyAPI_DATA(int) Py_NoUserSiteDirectory; +PyAPI_DATA(int) Py_UnbufferedStdioFlag; +PyAPI_DATA(int) Py_HashRandomizationFlag; +PyAPI_DATA(int) Py_IsolatedFlag; + +#ifdef MS_WINDOWS +PyAPI_DATA(int) Py_LegacyWindowsFSEncodingFlag; +PyAPI_DATA(int) Py_LegacyWindowsStdioFlag; +#endif + +/* this is a wrapper around getenv() that pays attention to + Py_IgnoreEnvironmentFlag. It should be used for getting variables like + PYTHONPATH and PYTHONHOME from the environment */ +#define Py_GETENV(s) (Py_IgnoreEnvironmentFlag ? NULL : getenv(s)) + +#ifdef __cplusplus +} +#endif +#endif /* !Py_PYDEBUG_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/pydtrace.h b/python-headers-win/Include/pydtrace.h new file mode 100644 index 000000000..75f8e7f70 --- /dev/null +++ b/python-headers-win/Include/pydtrace.h @@ -0,0 +1,59 @@ +/* Static DTrace probes interface */ + +#ifndef Py_DTRACE_H +#define Py_DTRACE_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifdef WITH_DTRACE + +#include "pydtrace_probes.h" + +/* pydtrace_probes.h, on systems with DTrace, is auto-generated to include + `PyDTrace_{PROBE}` and `PyDTrace_{PROBE}_ENABLED()` macros for every probe + defined in pydtrace_provider.d. + + Calling these functions must be guarded by a `PyDTrace_{PROBE}_ENABLED()` + check to minimize performance impact when probing is off. For example: + + if (PyDTrace_FUNCTION_ENTRY_ENABLED()) + PyDTrace_FUNCTION_ENTRY(f); +*/ + +#else + +/* Without DTrace, compile to nothing. */ + +static inline void PyDTrace_LINE(const char *arg0, const char *arg1, int arg2) {} +static inline void PyDTrace_FUNCTION_ENTRY(const char *arg0, const char *arg1, int arg2) {} +static inline void PyDTrace_FUNCTION_RETURN(const char *arg0, const char *arg1, int arg2) {} +static inline void PyDTrace_GC_START(int arg0) {} +static inline void PyDTrace_GC_DONE(Py_ssize_t arg0) {} +static inline void PyDTrace_INSTANCE_NEW_START(int arg0) {} +static inline void PyDTrace_INSTANCE_NEW_DONE(int arg0) {} +static inline void PyDTrace_INSTANCE_DELETE_START(int arg0) {} +static inline void PyDTrace_INSTANCE_DELETE_DONE(int arg0) {} +static inline void PyDTrace_IMPORT_FIND_LOAD_START(const char *arg0) {} +static inline void PyDTrace_IMPORT_FIND_LOAD_DONE(const char *arg0, int arg1) {} +static inline void PyDTrace_AUDIT(const char *arg0, void *arg1) {} + +static inline int PyDTrace_LINE_ENABLED(void) { return 0; } +static inline int PyDTrace_FUNCTION_ENTRY_ENABLED(void) { return 0; } +static inline int PyDTrace_FUNCTION_RETURN_ENABLED(void) { return 0; } +static inline int PyDTrace_GC_START_ENABLED(void) { return 0; } +static inline int PyDTrace_GC_DONE_ENABLED(void) { return 0; } +static inline int PyDTrace_INSTANCE_NEW_START_ENABLED(void) { return 0; } +static inline int PyDTrace_INSTANCE_NEW_DONE_ENABLED(void) { return 0; } +static inline int PyDTrace_INSTANCE_DELETE_START_ENABLED(void) { return 0; } +static inline int PyDTrace_INSTANCE_DELETE_DONE_ENABLED(void) { return 0; } +static inline int PyDTrace_IMPORT_FIND_LOAD_START_ENABLED(void) { return 0; } +static inline int PyDTrace_IMPORT_FIND_LOAD_DONE_ENABLED(void) { return 0; } +static inline int PyDTrace_AUDIT_ENABLED(void) { return 0; } + +#endif /* !WITH_DTRACE */ + +#ifdef __cplusplus +} +#endif +#endif /* !Py_DTRACE_H */ diff --git a/python-headers-win/Include/pyerrors.h b/python-headers-win/Include/pyerrors.h new file mode 100644 index 000000000..5125a51ec --- /dev/null +++ b/python-headers-win/Include/pyerrors.h @@ -0,0 +1,335 @@ +#ifndef Py_ERRORS_H +#define Py_ERRORS_H +#ifdef __cplusplus +extern "C" { +#endif + +/* Error handling definitions */ + +PyAPI_FUNC(void) PyErr_SetNone(PyObject *); +PyAPI_FUNC(void) PyErr_SetObject(PyObject *, PyObject *); +PyAPI_FUNC(void) PyErr_SetString( + PyObject *exception, + const char *string /* decoded from utf-8 */ + ); +PyAPI_FUNC(PyObject *) PyErr_Occurred(void); +PyAPI_FUNC(void) PyErr_Clear(void); +PyAPI_FUNC(void) PyErr_Fetch(PyObject **, PyObject **, PyObject **); +PyAPI_FUNC(void) PyErr_Restore(PyObject *, PyObject *, PyObject *); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(void) PyErr_GetExcInfo(PyObject **, PyObject **, PyObject **); +PyAPI_FUNC(void) PyErr_SetExcInfo(PyObject *, PyObject *, PyObject *); +#endif + +/* Defined in Python/pylifecycle.c */ +PyAPI_FUNC(void) _Py_NO_RETURN Py_FatalError(const char *message); + +#if defined(Py_DEBUG) || defined(Py_LIMITED_API) +#define _PyErr_OCCURRED() PyErr_Occurred() +#else +#define _PyErr_OCCURRED() (PyThreadState_GET()->curexc_type) +#endif + +/* Error testing and normalization */ +PyAPI_FUNC(int) PyErr_GivenExceptionMatches(PyObject *, PyObject *); +PyAPI_FUNC(int) PyErr_ExceptionMatches(PyObject *); +PyAPI_FUNC(void) PyErr_NormalizeException(PyObject**, PyObject**, PyObject**); + +/* Traceback manipulation (PEP 3134) */ +PyAPI_FUNC(int) PyException_SetTraceback(PyObject *, PyObject *); +PyAPI_FUNC(PyObject *) PyException_GetTraceback(PyObject *); + +/* Cause manipulation (PEP 3134) */ +PyAPI_FUNC(PyObject *) PyException_GetCause(PyObject *); +PyAPI_FUNC(void) PyException_SetCause(PyObject *, PyObject *); + +/* Context manipulation (PEP 3134) */ +PyAPI_FUNC(PyObject *) PyException_GetContext(PyObject *); +PyAPI_FUNC(void) PyException_SetContext(PyObject *, PyObject *); + +/* */ + +#define PyExceptionClass_Check(x) \ + (PyType_Check((x)) && \ + PyType_FastSubclass((PyTypeObject*)(x), Py_TPFLAGS_BASE_EXC_SUBCLASS)) + +#define PyExceptionInstance_Check(x) \ + PyType_FastSubclass((x)->ob_type, Py_TPFLAGS_BASE_EXC_SUBCLASS) + +PyAPI_FUNC(const char *) PyExceptionClass_Name(PyObject *); + +#define PyExceptionInstance_Class(x) ((PyObject*)((x)->ob_type)) + + +/* Predefined exceptions */ + +PyAPI_DATA(PyObject *) PyExc_BaseException; +PyAPI_DATA(PyObject *) PyExc_Exception; +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +PyAPI_DATA(PyObject *) PyExc_StopAsyncIteration; +#endif +PyAPI_DATA(PyObject *) PyExc_StopIteration; +PyAPI_DATA(PyObject *) PyExc_GeneratorExit; +PyAPI_DATA(PyObject *) PyExc_ArithmeticError; +PyAPI_DATA(PyObject *) PyExc_LookupError; + +PyAPI_DATA(PyObject *) PyExc_AssertionError; +PyAPI_DATA(PyObject *) PyExc_AttributeError; +PyAPI_DATA(PyObject *) PyExc_BufferError; +PyAPI_DATA(PyObject *) PyExc_EOFError; +PyAPI_DATA(PyObject *) PyExc_FloatingPointError; +PyAPI_DATA(PyObject *) PyExc_OSError; +PyAPI_DATA(PyObject *) PyExc_ImportError; +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03060000 +PyAPI_DATA(PyObject *) PyExc_ModuleNotFoundError; +#endif +PyAPI_DATA(PyObject *) PyExc_IndexError; +PyAPI_DATA(PyObject *) PyExc_KeyError; +PyAPI_DATA(PyObject *) PyExc_KeyboardInterrupt; +PyAPI_DATA(PyObject *) PyExc_MemoryError; +PyAPI_DATA(PyObject *) PyExc_NameError; +PyAPI_DATA(PyObject *) PyExc_OverflowError; +PyAPI_DATA(PyObject *) PyExc_RuntimeError; +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +PyAPI_DATA(PyObject *) PyExc_RecursionError; +#endif +PyAPI_DATA(PyObject *) PyExc_NotImplementedError; +PyAPI_DATA(PyObject *) PyExc_SyntaxError; +PyAPI_DATA(PyObject *) PyExc_IndentationError; +PyAPI_DATA(PyObject *) PyExc_TabError; +PyAPI_DATA(PyObject *) PyExc_ReferenceError; +PyAPI_DATA(PyObject *) PyExc_SystemError; +PyAPI_DATA(PyObject *) PyExc_SystemExit; +PyAPI_DATA(PyObject *) PyExc_TypeError; +PyAPI_DATA(PyObject *) PyExc_UnboundLocalError; +PyAPI_DATA(PyObject *) PyExc_UnicodeError; +PyAPI_DATA(PyObject *) PyExc_UnicodeEncodeError; +PyAPI_DATA(PyObject *) PyExc_UnicodeDecodeError; +PyAPI_DATA(PyObject *) PyExc_UnicodeTranslateError; +PyAPI_DATA(PyObject *) PyExc_ValueError; +PyAPI_DATA(PyObject *) PyExc_ZeroDivisionError; + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_DATA(PyObject *) PyExc_BlockingIOError; +PyAPI_DATA(PyObject *) PyExc_BrokenPipeError; +PyAPI_DATA(PyObject *) PyExc_ChildProcessError; +PyAPI_DATA(PyObject *) PyExc_ConnectionError; +PyAPI_DATA(PyObject *) PyExc_ConnectionAbortedError; +PyAPI_DATA(PyObject *) PyExc_ConnectionRefusedError; +PyAPI_DATA(PyObject *) PyExc_ConnectionResetError; +PyAPI_DATA(PyObject *) PyExc_FileExistsError; +PyAPI_DATA(PyObject *) PyExc_FileNotFoundError; +PyAPI_DATA(PyObject *) PyExc_InterruptedError; +PyAPI_DATA(PyObject *) PyExc_IsADirectoryError; +PyAPI_DATA(PyObject *) PyExc_NotADirectoryError; +PyAPI_DATA(PyObject *) PyExc_PermissionError; +PyAPI_DATA(PyObject *) PyExc_ProcessLookupError; +PyAPI_DATA(PyObject *) PyExc_TimeoutError; +#endif + + +/* Compatibility aliases */ +PyAPI_DATA(PyObject *) PyExc_EnvironmentError; +PyAPI_DATA(PyObject *) PyExc_IOError; +#ifdef MS_WINDOWS +PyAPI_DATA(PyObject *) PyExc_WindowsError; +#endif + +/* Predefined warning categories */ +PyAPI_DATA(PyObject *) PyExc_Warning; +PyAPI_DATA(PyObject *) PyExc_UserWarning; +PyAPI_DATA(PyObject *) PyExc_DeprecationWarning; +PyAPI_DATA(PyObject *) PyExc_PendingDeprecationWarning; +PyAPI_DATA(PyObject *) PyExc_SyntaxWarning; +PyAPI_DATA(PyObject *) PyExc_RuntimeWarning; +PyAPI_DATA(PyObject *) PyExc_FutureWarning; +PyAPI_DATA(PyObject *) PyExc_ImportWarning; +PyAPI_DATA(PyObject *) PyExc_UnicodeWarning; +PyAPI_DATA(PyObject *) PyExc_BytesWarning; +PyAPI_DATA(PyObject *) PyExc_ResourceWarning; + + +/* Convenience functions */ + +PyAPI_FUNC(int) PyErr_BadArgument(void); +PyAPI_FUNC(PyObject *) PyErr_NoMemory(void); +PyAPI_FUNC(PyObject *) PyErr_SetFromErrno(PyObject *); +PyAPI_FUNC(PyObject *) PyErr_SetFromErrnoWithFilenameObject( + PyObject *, PyObject *); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03040000 +PyAPI_FUNC(PyObject *) PyErr_SetFromErrnoWithFilenameObjects( + PyObject *, PyObject *, PyObject *); +#endif +PyAPI_FUNC(PyObject *) PyErr_SetFromErrnoWithFilename( + PyObject *exc, + const char *filename /* decoded from the filesystem encoding */ + ); + +PyAPI_FUNC(PyObject *) PyErr_Format( + PyObject *exception, + const char *format, /* ASCII-encoded string */ + ... + ); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +PyAPI_FUNC(PyObject *) PyErr_FormatV( + PyObject *exception, + const char *format, + va_list vargs); +#endif + +#ifdef MS_WINDOWS +PyAPI_FUNC(PyObject *) PyErr_SetFromWindowsErrWithFilename( + int ierr, + const char *filename /* decoded from the filesystem encoding */ + ); +PyAPI_FUNC(PyObject *) PyErr_SetFromWindowsErr(int); +PyAPI_FUNC(PyObject *) PyErr_SetExcFromWindowsErrWithFilenameObject( + PyObject *,int, PyObject *); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03040000 +PyAPI_FUNC(PyObject *) PyErr_SetExcFromWindowsErrWithFilenameObjects( + PyObject *,int, PyObject *, PyObject *); +#endif +PyAPI_FUNC(PyObject *) PyErr_SetExcFromWindowsErrWithFilename( + PyObject *exc, + int ierr, + const char *filename /* decoded from the filesystem encoding */ + ); +PyAPI_FUNC(PyObject *) PyErr_SetExcFromWindowsErr(PyObject *, int); +#endif /* MS_WINDOWS */ + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03060000 +PyAPI_FUNC(PyObject *) PyErr_SetImportErrorSubclass(PyObject *, PyObject *, + PyObject *, PyObject *); +#endif +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject *) PyErr_SetImportError(PyObject *, PyObject *, + PyObject *); +#endif + +/* Export the old function so that the existing API remains available: */ +PyAPI_FUNC(void) PyErr_BadInternalCall(void); +PyAPI_FUNC(void) _PyErr_BadInternalCall(const char *filename, int lineno); +/* Mask the old API with a call to the new API for code compiled under + Python 2.0: */ +#define PyErr_BadInternalCall() _PyErr_BadInternalCall(__FILE__, __LINE__) + +/* Function to create a new exception */ +PyAPI_FUNC(PyObject *) PyErr_NewException( + const char *name, PyObject *base, PyObject *dict); +PyAPI_FUNC(PyObject *) PyErr_NewExceptionWithDoc( + const char *name, const char *doc, PyObject *base, PyObject *dict); +PyAPI_FUNC(void) PyErr_WriteUnraisable(PyObject *); + + +/* In signalmodule.c */ +PyAPI_FUNC(int) PyErr_CheckSignals(void); +PyAPI_FUNC(void) PyErr_SetInterrupt(void); + +/* Support for adding program text to SyntaxErrors */ +PyAPI_FUNC(void) PyErr_SyntaxLocation( + const char *filename, /* decoded from the filesystem encoding */ + int lineno); +PyAPI_FUNC(void) PyErr_SyntaxLocationEx( + const char *filename, /* decoded from the filesystem encoding */ + int lineno, + int col_offset); +PyAPI_FUNC(PyObject *) PyErr_ProgramText( + const char *filename, /* decoded from the filesystem encoding */ + int lineno); + +/* The following functions are used to create and modify unicode + exceptions from C */ + +/* create a UnicodeDecodeError object */ +PyAPI_FUNC(PyObject *) PyUnicodeDecodeError_Create( + const char *encoding, /* UTF-8 encoded string */ + const char *object, + Py_ssize_t length, + Py_ssize_t start, + Py_ssize_t end, + const char *reason /* UTF-8 encoded string */ + ); + +/* get the encoding attribute */ +PyAPI_FUNC(PyObject *) PyUnicodeEncodeError_GetEncoding(PyObject *); +PyAPI_FUNC(PyObject *) PyUnicodeDecodeError_GetEncoding(PyObject *); + +/* get the object attribute */ +PyAPI_FUNC(PyObject *) PyUnicodeEncodeError_GetObject(PyObject *); +PyAPI_FUNC(PyObject *) PyUnicodeDecodeError_GetObject(PyObject *); +PyAPI_FUNC(PyObject *) PyUnicodeTranslateError_GetObject(PyObject *); + +/* get the value of the start attribute (the int * may not be NULL) + return 0 on success, -1 on failure */ +PyAPI_FUNC(int) PyUnicodeEncodeError_GetStart(PyObject *, Py_ssize_t *); +PyAPI_FUNC(int) PyUnicodeDecodeError_GetStart(PyObject *, Py_ssize_t *); +PyAPI_FUNC(int) PyUnicodeTranslateError_GetStart(PyObject *, Py_ssize_t *); + +/* assign a new value to the start attribute + return 0 on success, -1 on failure */ +PyAPI_FUNC(int) PyUnicodeEncodeError_SetStart(PyObject *, Py_ssize_t); +PyAPI_FUNC(int) PyUnicodeDecodeError_SetStart(PyObject *, Py_ssize_t); +PyAPI_FUNC(int) PyUnicodeTranslateError_SetStart(PyObject *, Py_ssize_t); + +/* get the value of the end attribute (the int *may not be NULL) + return 0 on success, -1 on failure */ +PyAPI_FUNC(int) PyUnicodeEncodeError_GetEnd(PyObject *, Py_ssize_t *); +PyAPI_FUNC(int) PyUnicodeDecodeError_GetEnd(PyObject *, Py_ssize_t *); +PyAPI_FUNC(int) PyUnicodeTranslateError_GetEnd(PyObject *, Py_ssize_t *); + +/* assign a new value to the end attribute + return 0 on success, -1 on failure */ +PyAPI_FUNC(int) PyUnicodeEncodeError_SetEnd(PyObject *, Py_ssize_t); +PyAPI_FUNC(int) PyUnicodeDecodeError_SetEnd(PyObject *, Py_ssize_t); +PyAPI_FUNC(int) PyUnicodeTranslateError_SetEnd(PyObject *, Py_ssize_t); + +/* get the value of the reason attribute */ +PyAPI_FUNC(PyObject *) PyUnicodeEncodeError_GetReason(PyObject *); +PyAPI_FUNC(PyObject *) PyUnicodeDecodeError_GetReason(PyObject *); +PyAPI_FUNC(PyObject *) PyUnicodeTranslateError_GetReason(PyObject *); + +/* assign a new value to the reason attribute + return 0 on success, -1 on failure */ +PyAPI_FUNC(int) PyUnicodeEncodeError_SetReason( + PyObject *exc, + const char *reason /* UTF-8 encoded string */ + ); +PyAPI_FUNC(int) PyUnicodeDecodeError_SetReason( + PyObject *exc, + const char *reason /* UTF-8 encoded string */ + ); +PyAPI_FUNC(int) PyUnicodeTranslateError_SetReason( + PyObject *exc, + const char *reason /* UTF-8 encoded string */ + ); + +/* These APIs aren't really part of the error implementation, but + often needed to format error messages; the native C lib APIs are + not available on all platforms, which is why we provide emulations + for those platforms in Python/mysnprintf.c, + WARNING: The return value of snprintf varies across platforms; do + not rely on any particular behavior; eventually the C99 defn may + be reliable. +*/ +#if defined(MS_WIN32) && !defined(HAVE_SNPRINTF) +# define HAVE_SNPRINTF +# define snprintf _snprintf +# define vsnprintf _vsnprintf +#endif + +#include +PyAPI_FUNC(int) PyOS_snprintf(char *str, size_t size, const char *format, ...) + Py_GCC_ATTRIBUTE((format(printf, 3, 4))); +PyAPI_FUNC(int) PyOS_vsnprintf(char *str, size_t size, const char *format, va_list va) + Py_GCC_ATTRIBUTE((format(printf, 3, 0))); + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_ERRORS_H +# include "cpython/pyerrors.h" +# undef Py_CPYTHON_ERRORS_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_ERRORS_H */ diff --git a/python-headers-win/Include/pyexpat.h b/python-headers-win/Include/pyexpat.h new file mode 100644 index 000000000..07020b5dc --- /dev/null +++ b/python-headers-win/Include/pyexpat.h @@ -0,0 +1,55 @@ +/* Stuff to export relevant 'expat' entry points from pyexpat to other + * parser modules, such as cElementTree. */ + +/* note: you must import expat.h before importing this module! */ + +#define PyExpat_CAPI_MAGIC "pyexpat.expat_CAPI 1.1" +#define PyExpat_CAPSULE_NAME "pyexpat.expat_CAPI" + +struct PyExpat_CAPI +{ + char* magic; /* set to PyExpat_CAPI_MAGIC */ + int size; /* set to sizeof(struct PyExpat_CAPI) */ + int MAJOR_VERSION; + int MINOR_VERSION; + int MICRO_VERSION; + /* pointers to selected expat functions. add new functions at + the end, if needed */ + const XML_LChar * (*ErrorString)(enum XML_Error code); + enum XML_Error (*GetErrorCode)(XML_Parser parser); + XML_Size (*GetErrorColumnNumber)(XML_Parser parser); + XML_Size (*GetErrorLineNumber)(XML_Parser parser); + enum XML_Status (*Parse)( + XML_Parser parser, const char *s, int len, int isFinal); + XML_Parser (*ParserCreate_MM)( + const XML_Char *encoding, const XML_Memory_Handling_Suite *memsuite, + const XML_Char *namespaceSeparator); + void (*ParserFree)(XML_Parser parser); + void (*SetCharacterDataHandler)( + XML_Parser parser, XML_CharacterDataHandler handler); + void (*SetCommentHandler)( + XML_Parser parser, XML_CommentHandler handler); + void (*SetDefaultHandlerExpand)( + XML_Parser parser, XML_DefaultHandler handler); + void (*SetElementHandler)( + XML_Parser parser, XML_StartElementHandler start, + XML_EndElementHandler end); + void (*SetNamespaceDeclHandler)( + XML_Parser parser, XML_StartNamespaceDeclHandler start, + XML_EndNamespaceDeclHandler end); + void (*SetProcessingInstructionHandler)( + XML_Parser parser, XML_ProcessingInstructionHandler handler); + void (*SetUnknownEncodingHandler)( + XML_Parser parser, XML_UnknownEncodingHandler handler, + void *encodingHandlerData); + void (*SetUserData)(XML_Parser parser, void *userData); + void (*SetStartDoctypeDeclHandler)(XML_Parser parser, + XML_StartDoctypeDeclHandler start); + enum XML_Status (*SetEncoding)(XML_Parser parser, const XML_Char *encoding); + int (*DefaultUnknownEncodingHandler)( + void *encodingHandlerData, const XML_Char *name, XML_Encoding *info); + /* might be none for expat < 2.1.0 */ + int (*SetHashSalt)(XML_Parser parser, unsigned long hash_salt); + /* always add new stuff to the end! */ +}; + diff --git a/python-headers-win/Include/pyfpe.h b/python-headers-win/Include/pyfpe.h new file mode 100644 index 000000000..5a99e3979 --- /dev/null +++ b/python-headers-win/Include/pyfpe.h @@ -0,0 +1,12 @@ +#ifndef Py_PYFPE_H +#define Py_PYFPE_H + +/* These macros used to do something when Python was built with --with-fpectl, + * but support for that was dropped in 3.7. We continue to define them though, + * to avoid breaking API users. + */ + +#define PyFPE_START_PROTECT(err_string, leave_stmt) +#define PyFPE_END_PROTECT(v) + +#endif /* !Py_PYFPE_H */ diff --git a/python-headers-win/Include/pyhash.h b/python-headers-win/Include/pyhash.h new file mode 100644 index 000000000..dbcc9744b --- /dev/null +++ b/python-headers-win/Include/pyhash.h @@ -0,0 +1,145 @@ +#ifndef Py_HASH_H + +#define Py_HASH_H +#ifdef __cplusplus +extern "C" { +#endif + +/* Helpers for hash functions */ +#ifndef Py_LIMITED_API +PyAPI_FUNC(Py_hash_t) _Py_HashDouble(double); +PyAPI_FUNC(Py_hash_t) _Py_HashPointer(void*); +PyAPI_FUNC(Py_hash_t) _Py_HashBytes(const void*, Py_ssize_t); +#endif + +/* Prime multiplier used in string and various other hashes. */ +#define _PyHASH_MULTIPLIER 1000003UL /* 0xf4243 */ + +/* Parameters used for the numeric hash implementation. See notes for + _Py_HashDouble in Python/pyhash.c. Numeric hashes are based on + reduction modulo the prime 2**_PyHASH_BITS - 1. */ + +#if SIZEOF_VOID_P >= 8 +# define _PyHASH_BITS 61 +#else +# define _PyHASH_BITS 31 +#endif + +#define _PyHASH_MODULUS (((size_t)1 << _PyHASH_BITS) - 1) +#define _PyHASH_INF 314159 +#define _PyHASH_NAN 0 +#define _PyHASH_IMAG _PyHASH_MULTIPLIER + + +/* hash secret + * + * memory layout on 64 bit systems + * cccccccc cccccccc cccccccc uc -- unsigned char[24] + * pppppppp ssssssss ........ fnv -- two Py_hash_t + * k0k0k0k0 k1k1k1k1 ........ siphash -- two uint64_t + * ........ ........ ssssssss djbx33a -- 16 bytes padding + one Py_hash_t + * ........ ........ eeeeeeee pyexpat XML hash salt + * + * memory layout on 32 bit systems + * cccccccc cccccccc cccccccc uc + * ppppssss ........ ........ fnv -- two Py_hash_t + * k0k0k0k0 k1k1k1k1 ........ siphash -- two uint64_t (*) + * ........ ........ ssss.... djbx33a -- 16 bytes padding + one Py_hash_t + * ........ ........ eeee.... pyexpat XML hash salt + * + * (*) The siphash member may not be available on 32 bit platforms without + * an unsigned int64 data type. + */ +#ifndef Py_LIMITED_API +typedef union { + /* ensure 24 bytes */ + unsigned char uc[24]; + /* two Py_hash_t for FNV */ + struct { + Py_hash_t prefix; + Py_hash_t suffix; + } fnv; + /* two uint64 for SipHash24 */ + struct { + uint64_t k0; + uint64_t k1; + } siphash; + /* a different (!) Py_hash_t for small string optimization */ + struct { + unsigned char padding[16]; + Py_hash_t suffix; + } djbx33a; + struct { + unsigned char padding[16]; + Py_hash_t hashsalt; + } expat; +} _Py_HashSecret_t; +PyAPI_DATA(_Py_HashSecret_t) _Py_HashSecret; +#endif + +#ifdef Py_DEBUG +PyAPI_DATA(int) _Py_HashSecret_Initialized; +#endif + + +/* hash function definition */ +#ifndef Py_LIMITED_API +typedef struct { + Py_hash_t (*const hash)(const void *, Py_ssize_t); + const char *name; + const int hash_bits; + const int seed_bits; +} PyHash_FuncDef; + +PyAPI_FUNC(PyHash_FuncDef*) PyHash_GetFuncDef(void); +#endif + + +/* cutoff for small string DJBX33A optimization in range [1, cutoff). + * + * About 50% of the strings in a typical Python application are smaller than + * 6 to 7 chars. However DJBX33A is vulnerable to hash collision attacks. + * NEVER use DJBX33A for long strings! + * + * A Py_HASH_CUTOFF of 0 disables small string optimization. 32 bit platforms + * should use a smaller cutoff because it is easier to create colliding + * strings. A cutoff of 7 on 64bit platforms and 5 on 32bit platforms should + * provide a decent safety margin. + */ +#ifndef Py_HASH_CUTOFF +# define Py_HASH_CUTOFF 0 +#elif (Py_HASH_CUTOFF > 7 || Py_HASH_CUTOFF < 0) +# error Py_HASH_CUTOFF must in range 0...7. +#endif /* Py_HASH_CUTOFF */ + + +/* hash algorithm selection + * + * The values for Py_HASH_SIPHASH24 and Py_HASH_FNV are hard-coded in the + * configure script. + * + * - FNV is available on all platforms and architectures. + * - SIPHASH24 only works on platforms that don't require aligned memory for integers. + * - With EXTERNAL embedders can provide an alternative implementation with:: + * + * PyHash_FuncDef PyHash_Func = {...}; + * + * XXX: Figure out __declspec() for extern PyHash_FuncDef. + */ +#define Py_HASH_EXTERNAL 0 +#define Py_HASH_SIPHASH24 1 +#define Py_HASH_FNV 2 + +#ifndef Py_HASH_ALGORITHM +# ifndef HAVE_ALIGNED_REQUIRED +# define Py_HASH_ALGORITHM Py_HASH_SIPHASH24 +# else +# define Py_HASH_ALGORITHM Py_HASH_FNV +# endif /* uint64_t && uint32_t && aligned */ +#endif /* Py_HASH_ALGORITHM */ + +#ifdef __cplusplus +} +#endif + +#endif /* !Py_HASH_H */ diff --git a/python-headers-win/Include/pylifecycle.h b/python-headers-win/Include/pylifecycle.h new file mode 100644 index 000000000..c5368b3c5 --- /dev/null +++ b/python-headers-win/Include/pylifecycle.h @@ -0,0 +1,75 @@ + +/* Interfaces to configure, query, create & destroy the Python runtime */ + +#ifndef Py_PYLIFECYCLE_H +#define Py_PYLIFECYCLE_H +#ifdef __cplusplus +extern "C" { +#endif + + +/* Initialization and finalization */ +PyAPI_FUNC(void) Py_Initialize(void); +PyAPI_FUNC(void) Py_InitializeEx(int); +PyAPI_FUNC(void) Py_Finalize(void); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03060000 +PyAPI_FUNC(int) Py_FinalizeEx(void); +#endif +PyAPI_FUNC(int) Py_IsInitialized(void); + +/* Subinterpreter support */ +PyAPI_FUNC(PyThreadState *) Py_NewInterpreter(void); +PyAPI_FUNC(void) Py_EndInterpreter(PyThreadState *); + + +/* Py_PyAtExit is for the atexit module, Py_AtExit is for low-level + * exit functions. + */ +PyAPI_FUNC(int) Py_AtExit(void (*func)(void)); + +PyAPI_FUNC(void) _Py_NO_RETURN Py_Exit(int); + +/* Bootstrap __main__ (defined in Modules/main.c) */ +PyAPI_FUNC(int) Py_Main(int argc, wchar_t **argv); + +PyAPI_FUNC(int) Py_BytesMain(int argc, char **argv); + +/* In pathconfig.c */ +PyAPI_FUNC(void) Py_SetProgramName(const wchar_t *); +PyAPI_FUNC(wchar_t *) Py_GetProgramName(void); + +PyAPI_FUNC(void) Py_SetPythonHome(const wchar_t *); +PyAPI_FUNC(wchar_t *) Py_GetPythonHome(void); + +PyAPI_FUNC(wchar_t *) Py_GetProgramFullPath(void); + +PyAPI_FUNC(wchar_t *) Py_GetPrefix(void); +PyAPI_FUNC(wchar_t *) Py_GetExecPrefix(void); +PyAPI_FUNC(wchar_t *) Py_GetPath(void); +PyAPI_FUNC(void) Py_SetPath(const wchar_t *); +#ifdef MS_WINDOWS +int _Py_CheckPython3(void); +#endif + +/* In their own files */ +PyAPI_FUNC(const char *) Py_GetVersion(void); +PyAPI_FUNC(const char *) Py_GetPlatform(void); +PyAPI_FUNC(const char *) Py_GetCopyright(void); +PyAPI_FUNC(const char *) Py_GetCompiler(void); +PyAPI_FUNC(const char *) Py_GetBuildInfo(void); + +/* Signals */ +typedef void (*PyOS_sighandler_t)(int); +PyAPI_FUNC(PyOS_sighandler_t) PyOS_getsig(int); +PyAPI_FUNC(PyOS_sighandler_t) PyOS_setsig(int, PyOS_sighandler_t); + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_PYLIFECYCLE_H +# include "cpython/pylifecycle.h" +# undef Py_CPYTHON_PYLIFECYCLE_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_PYLIFECYCLE_H */ diff --git a/python-headers-win/Include/pymacconfig.h b/python-headers-win/Include/pymacconfig.h new file mode 100644 index 000000000..9dde11bd5 --- /dev/null +++ b/python-headers-win/Include/pymacconfig.h @@ -0,0 +1,102 @@ +#ifndef PYMACCONFIG_H +#define PYMACCONFIG_H + /* + * This file moves some of the autoconf magic to compile-time + * when building on MacOSX. This is needed for building 4-way + * universal binaries and for 64-bit universal binaries because + * the values redefined below aren't configure-time constant but + * only compile-time constant in these scenarios. + */ + +#if defined(__APPLE__) + +# undef SIZEOF_LONG +# undef SIZEOF_PTHREAD_T +# undef SIZEOF_SIZE_T +# undef SIZEOF_TIME_T +# undef SIZEOF_VOID_P +# undef SIZEOF__BOOL +# undef SIZEOF_UINTPTR_T +# undef SIZEOF_PTHREAD_T +# undef WORDS_BIGENDIAN +# undef DOUBLE_IS_ARM_MIXED_ENDIAN_IEEE754 +# undef DOUBLE_IS_BIG_ENDIAN_IEEE754 +# undef DOUBLE_IS_LITTLE_ENDIAN_IEEE754 +# undef HAVE_GCC_ASM_FOR_X87 + +# undef VA_LIST_IS_ARRAY +# if defined(__LP64__) && defined(__x86_64__) +# define VA_LIST_IS_ARRAY 1 +# endif + +# undef HAVE_LARGEFILE_SUPPORT +# ifndef __LP64__ +# define HAVE_LARGEFILE_SUPPORT 1 +# endif + +# undef SIZEOF_LONG +# ifdef __LP64__ +# define SIZEOF__BOOL 1 +# define SIZEOF__BOOL 1 +# define SIZEOF_LONG 8 +# define SIZEOF_PTHREAD_T 8 +# define SIZEOF_SIZE_T 8 +# define SIZEOF_TIME_T 8 +# define SIZEOF_VOID_P 8 +# define SIZEOF_UINTPTR_T 8 +# define SIZEOF_PTHREAD_T 8 +# else +# ifdef __ppc__ +# define SIZEOF__BOOL 4 +# else +# define SIZEOF__BOOL 1 +# endif +# define SIZEOF_LONG 4 +# define SIZEOF_PTHREAD_T 4 +# define SIZEOF_SIZE_T 4 +# define SIZEOF_TIME_T 4 +# define SIZEOF_VOID_P 4 +# define SIZEOF_UINTPTR_T 4 +# define SIZEOF_PTHREAD_T 4 +# endif + +# if defined(__LP64__) + /* MacOSX 10.4 (the first release to support 64-bit code + * at all) only supports 64-bit in the UNIX layer. + * Therefore suppress the toolbox-glue in 64-bit mode. + */ + + /* In 64-bit mode setpgrp always has no arguments, in 32-bit + * mode that depends on the compilation environment + */ +# undef SETPGRP_HAVE_ARG + +# endif + +#ifdef __BIG_ENDIAN__ +#define WORDS_BIGENDIAN 1 +#define DOUBLE_IS_BIG_ENDIAN_IEEE754 +#else +#define DOUBLE_IS_LITTLE_ENDIAN_IEEE754 +#endif /* __BIG_ENDIAN */ + +#ifdef __i386__ +# define HAVE_GCC_ASM_FOR_X87 +#endif + + /* + * The definition in pyconfig.h is only valid on the OS release + * where configure ran on and not necessarily for all systems where + * the executable can be used on. + * + * Specifically: OSX 10.4 has limited supported for '%zd', while + * 10.5 has full support for '%zd'. A binary built on 10.5 won't + * work properly on 10.4 unless we suppress the definition + * of PY_FORMAT_SIZE_T + */ +#undef PY_FORMAT_SIZE_T + + +#endif /* defined(_APPLE__) */ + +#endif /* PYMACCONFIG_H */ diff --git a/python-headers-win/Include/pymacro.h b/python-headers-win/Include/pymacro.h new file mode 100644 index 000000000..495c2c25c --- /dev/null +++ b/python-headers-win/Include/pymacro.h @@ -0,0 +1,106 @@ +#ifndef Py_PYMACRO_H +#define Py_PYMACRO_H + +/* Minimum value between x and y */ +#define Py_MIN(x, y) (((x) > (y)) ? (y) : (x)) + +/* Maximum value between x and y */ +#define Py_MAX(x, y) (((x) > (y)) ? (x) : (y)) + +/* Absolute value of the number x */ +#define Py_ABS(x) ((x) < 0 ? -(x) : (x)) + +#define _Py_XSTRINGIFY(x) #x + +/* Convert the argument to a string. For example, Py_STRINGIFY(123) is replaced + with "123" by the preprocessor. Defines are also replaced by their value. + For example Py_STRINGIFY(__LINE__) is replaced by the line number, not + by "__LINE__". */ +#define Py_STRINGIFY(x) _Py_XSTRINGIFY(x) + +/* Get the size of a structure member in bytes */ +#define Py_MEMBER_SIZE(type, member) sizeof(((type *)0)->member) + +/* Argument must be a char or an int in [-128, 127] or [0, 255]. */ +#define Py_CHARMASK(c) ((unsigned char)((c) & 0xff)) + +/* Assert a build-time dependency, as an expression. + + Your compile will fail if the condition isn't true, or can't be evaluated + by the compiler. This can be used in an expression: its value is 0. + + Example: + + #define foo_to_char(foo) \ + ((char *)(foo) \ + + Py_BUILD_ASSERT_EXPR(offsetof(struct foo, string) == 0)) + + Written by Rusty Russell, public domain, http://ccodearchive.net/ */ +#define Py_BUILD_ASSERT_EXPR(cond) \ + (sizeof(char [1 - 2*!(cond)]) - 1) + +#define Py_BUILD_ASSERT(cond) do { \ + (void)Py_BUILD_ASSERT_EXPR(cond); \ + } while(0) + +/* Get the number of elements in a visible array + + This does not work on pointers, or arrays declared as [], or function + parameters. With correct compiler support, such usage will cause a build + error (see Py_BUILD_ASSERT_EXPR). + + Written by Rusty Russell, public domain, http://ccodearchive.net/ + + Requires at GCC 3.1+ */ +#if (defined(__GNUC__) && !defined(__STRICT_ANSI__) && \ + (((__GNUC__ == 3) && (__GNUC_MINOR__ >= 1)) || (__GNUC__ >= 4))) +/* Two gcc extensions. + &a[0] degrades to a pointer: a different type from an array */ +#define Py_ARRAY_LENGTH(array) \ + (sizeof(array) / sizeof((array)[0]) \ + + Py_BUILD_ASSERT_EXPR(!__builtin_types_compatible_p(typeof(array), \ + typeof(&(array)[0])))) +#else +#define Py_ARRAY_LENGTH(array) \ + (sizeof(array) / sizeof((array)[0])) +#endif + + +/* Define macros for inline documentation. */ +#define PyDoc_VAR(name) static const char name[] +#define PyDoc_STRVAR(name,str) PyDoc_VAR(name) = PyDoc_STR(str) +#ifdef WITH_DOC_STRINGS +#define PyDoc_STR(str) str +#else +#define PyDoc_STR(str) "" +#endif + +/* Below "a" is a power of 2. */ +/* Round down size "n" to be a multiple of "a". */ +#define _Py_SIZE_ROUND_DOWN(n, a) ((size_t)(n) & ~(size_t)((a) - 1)) +/* Round up size "n" to be a multiple of "a". */ +#define _Py_SIZE_ROUND_UP(n, a) (((size_t)(n) + \ + (size_t)((a) - 1)) & ~(size_t)((a) - 1)) +/* Round pointer "p" down to the closest "a"-aligned address <= "p". */ +#define _Py_ALIGN_DOWN(p, a) ((void *)((uintptr_t)(p) & ~(uintptr_t)((a) - 1))) +/* Round pointer "p" up to the closest "a"-aligned address >= "p". */ +#define _Py_ALIGN_UP(p, a) ((void *)(((uintptr_t)(p) + \ + (uintptr_t)((a) - 1)) & ~(uintptr_t)((a) - 1))) +/* Check if pointer "p" is aligned to "a"-bytes boundary. */ +#define _Py_IS_ALIGNED(p, a) (!((uintptr_t)(p) & (uintptr_t)((a) - 1))) + +/* Use this for unused arguments in a function definition to silence compiler + * warnings. Example: + * + * int func(int a, int Py_UNUSED(b)) { return a; } + */ +#if defined(__GNUC__) || defined(__clang__) +# define Py_UNUSED(name) _unused_ ## name __attribute__((unused)) +#else +# define Py_UNUSED(name) _unused_ ## name +#endif + +#define Py_UNREACHABLE() \ + Py_FatalError("Unreachable C code path reached") + +#endif /* Py_PYMACRO_H */ diff --git a/python-headers-win/Include/pymath.h b/python-headers-win/Include/pymath.h new file mode 100644 index 000000000..6cf69f98a --- /dev/null +++ b/python-headers-win/Include/pymath.h @@ -0,0 +1,230 @@ +#ifndef Py_PYMATH_H +#define Py_PYMATH_H + +#include "pyconfig.h" /* include for defines */ + +/************************************************************************** +Symbols and macros to supply platform-independent interfaces to mathematical +functions and constants +**************************************************************************/ + +/* Python provides implementations for copysign, round and hypot in + * Python/pymath.c just in case your math library doesn't provide the + * functions. + * + *Note: PC/pyconfig.h defines copysign as _copysign + */ +#ifndef HAVE_COPYSIGN +extern double copysign(double, double); +#endif + +#ifndef HAVE_ROUND +extern double round(double); +#endif + +#ifndef HAVE_HYPOT +extern double hypot(double, double); +#endif + +/* extra declarations */ +#ifndef _MSC_VER +#ifndef __STDC__ +extern double fmod (double, double); +extern double frexp (double, int *); +extern double ldexp (double, int); +extern double modf (double, double *); +extern double pow(double, double); +#endif /* __STDC__ */ +#endif /* _MSC_VER */ + +/* High precision definition of pi and e (Euler) + * The values are taken from libc6's math.h. + */ +#ifndef Py_MATH_PIl +#define Py_MATH_PIl 3.1415926535897932384626433832795029L +#endif +#ifndef Py_MATH_PI +#define Py_MATH_PI 3.14159265358979323846 +#endif + +#ifndef Py_MATH_El +#define Py_MATH_El 2.7182818284590452353602874713526625L +#endif + +#ifndef Py_MATH_E +#define Py_MATH_E 2.7182818284590452354 +#endif + +/* Tau (2pi) to 40 digits, taken from tauday.com/tau-digits. */ +#ifndef Py_MATH_TAU +#define Py_MATH_TAU 6.2831853071795864769252867665590057683943L +#endif + + +/* On x86, Py_FORCE_DOUBLE forces a floating-point number out of an x87 FPU + register and into a 64-bit memory location, rounding from extended + precision to double precision in the process. On other platforms it does + nothing. */ + +/* we take double rounding as evidence of x87 usage */ +#ifndef Py_LIMITED_API +#ifndef Py_FORCE_DOUBLE +# ifdef X87_DOUBLE_ROUNDING +PyAPI_FUNC(double) _Py_force_double(double); +# define Py_FORCE_DOUBLE(X) (_Py_force_double(X)) +# else +# define Py_FORCE_DOUBLE(X) (X) +# endif +#endif +#endif + +#ifndef Py_LIMITED_API +#ifdef HAVE_GCC_ASM_FOR_X87 +PyAPI_FUNC(unsigned short) _Py_get_387controlword(void); +PyAPI_FUNC(void) _Py_set_387controlword(unsigned short); +#endif +#endif + +/* Py_IS_NAN(X) + * Return 1 if float or double arg is a NaN, else 0. + * Caution: + * X is evaluated more than once. + * This may not work on all platforms. Each platform has *some* + * way to spell this, though -- override in pyconfig.h if you have + * a platform where it doesn't work. + * Note: PC/pyconfig.h defines Py_IS_NAN as _isnan + */ +#ifndef Py_IS_NAN +#if defined HAVE_DECL_ISNAN && HAVE_DECL_ISNAN == 1 +#define Py_IS_NAN(X) isnan(X) +#else +#define Py_IS_NAN(X) ((X) != (X)) +#endif +#endif + +/* Py_IS_INFINITY(X) + * Return 1 if float or double arg is an infinity, else 0. + * Caution: + * X is evaluated more than once. + * This implementation may set the underflow flag if |X| is very small; + * it really can't be implemented correctly (& easily) before C99. + * Override in pyconfig.h if you have a better spelling on your platform. + * Py_FORCE_DOUBLE is used to avoid getting false negatives from a + * non-infinite value v sitting in an 80-bit x87 register such that + * v becomes infinite when spilled from the register to 64-bit memory. + * Note: PC/pyconfig.h defines Py_IS_INFINITY as _isinf + */ +#ifndef Py_IS_INFINITY +# if defined HAVE_DECL_ISINF && HAVE_DECL_ISINF == 1 +# define Py_IS_INFINITY(X) isinf(X) +# else +# define Py_IS_INFINITY(X) ((X) && \ + (Py_FORCE_DOUBLE(X)*0.5 == Py_FORCE_DOUBLE(X))) +# endif +#endif + +/* Py_IS_FINITE(X) + * Return 1 if float or double arg is neither infinite nor NAN, else 0. + * Some compilers (e.g. VisualStudio) have intrisics for this, so a special + * macro for this particular test is useful + * Note: PC/pyconfig.h defines Py_IS_FINITE as _finite + */ +#ifndef Py_IS_FINITE +#if defined HAVE_DECL_ISFINITE && HAVE_DECL_ISFINITE == 1 +#define Py_IS_FINITE(X) isfinite(X) +#elif defined HAVE_FINITE +#define Py_IS_FINITE(X) finite(X) +#else +#define Py_IS_FINITE(X) (!Py_IS_INFINITY(X) && !Py_IS_NAN(X)) +#endif +#endif + +/* HUGE_VAL is supposed to expand to a positive double infinity. Python + * uses Py_HUGE_VAL instead because some platforms are broken in this + * respect. We used to embed code in pyport.h to try to worm around that, + * but different platforms are broken in conflicting ways. If you're on + * a platform where HUGE_VAL is defined incorrectly, fiddle your Python + * config to #define Py_HUGE_VAL to something that works on your platform. + */ +#ifndef Py_HUGE_VAL +#define Py_HUGE_VAL HUGE_VAL +#endif + +/* Py_NAN + * A value that evaluates to a NaN. On IEEE 754 platforms INF*0 or + * INF/INF works. Define Py_NO_NAN in pyconfig.h if your platform + * doesn't support NaNs. + */ +#if !defined(Py_NAN) && !defined(Py_NO_NAN) +#if !defined(__INTEL_COMPILER) + #define Py_NAN (Py_HUGE_VAL * 0.) +#else /* __INTEL_COMPILER */ + #if defined(ICC_NAN_STRICT) + #pragma float_control(push) + #pragma float_control(precise, on) + #pragma float_control(except, on) + #if defined(_MSC_VER) + __declspec(noinline) + #else /* Linux */ + __attribute__((noinline)) + #endif /* _MSC_VER */ + static double __icc_nan() + { + return sqrt(-1.0); + } + #pragma float_control (pop) + #define Py_NAN __icc_nan() + #else /* ICC_NAN_RELAXED as default for Intel Compiler */ + static const union { unsigned char buf[8]; double __icc_nan; } __nan_store = {0,0,0,0,0,0,0xf8,0x7f}; + #define Py_NAN (__nan_store.__icc_nan) + #endif /* ICC_NAN_STRICT */ +#endif /* __INTEL_COMPILER */ +#endif + +/* Py_OVERFLOWED(X) + * Return 1 iff a libm function overflowed. Set errno to 0 before calling + * a libm function, and invoke this macro after, passing the function + * result. + * Caution: + * This isn't reliable. C99 no longer requires libm to set errno under + * any exceptional condition, but does require +- HUGE_VAL return + * values on overflow. A 754 box *probably* maps HUGE_VAL to a + * double infinity, and we're cool if that's so, unless the input + * was an infinity and an infinity is the expected result. A C89 + * system sets errno to ERANGE, so we check for that too. We're + * out of luck if a C99 754 box doesn't map HUGE_VAL to +Inf, or + * if the returned result is a NaN, or if a C89 box returns HUGE_VAL + * in non-overflow cases. + * X is evaluated more than once. + * Some platforms have better way to spell this, so expect some #ifdef'ery. + * + * OpenBSD uses 'isinf()' because a compiler bug on that platform causes + * the longer macro version to be mis-compiled. This isn't optimal, and + * should be removed once a newer compiler is available on that platform. + * The system that had the failure was running OpenBSD 3.2 on Intel, with + * gcc 2.95.3. + * + * According to Tim's checkin, the FreeBSD systems use isinf() to work + * around a FPE bug on that platform. + */ +#if defined(__FreeBSD__) || defined(__OpenBSD__) +#define Py_OVERFLOWED(X) isinf(X) +#else +#define Py_OVERFLOWED(X) ((X) != 0.0 && (errno == ERANGE || \ + (X) == Py_HUGE_VAL || \ + (X) == -Py_HUGE_VAL)) +#endif + +/* Return whether integral type *type* is signed or not. */ +#define _Py_IntegralTypeSigned(type) ((type)(-1) < 0) +/* Return the maximum value of integral type *type*. */ +#define _Py_IntegralTypeMax(type) ((_Py_IntegralTypeSigned(type)) ? (((((type)1 << (sizeof(type)*CHAR_BIT - 2)) - 1) << 1) + 1) : ~(type)0) +/* Return the minimum value of integral type *type*. */ +#define _Py_IntegralTypeMin(type) ((_Py_IntegralTypeSigned(type)) ? -_Py_IntegralTypeMax(type) - 1 : 0) +/* Check whether *v* is in the range of integral type *type*. This is most + * useful if *v* is floating-point, since demoting a floating-point *v* to an + * integral type that cannot represent *v*'s integral part is undefined + * behavior. */ +#define _Py_InIntegralTypeRange(type, v) (_Py_IntegralTypeMin(type) <= v && v <= _Py_IntegralTypeMax(type)) + +#endif /* Py_PYMATH_H */ diff --git a/python-headers-win/Include/pymem.h b/python-headers-win/Include/pymem.h new file mode 100644 index 000000000..07b380aa6 --- /dev/null +++ b/python-headers-win/Include/pymem.h @@ -0,0 +1,150 @@ +/* The PyMem_ family: low-level memory allocation interfaces. + See objimpl.h for the PyObject_ memory family. +*/ + +#ifndef Py_PYMEM_H +#define Py_PYMEM_H + +#include "pyport.h" + +#ifdef __cplusplus +extern "C" { +#endif + +/* BEWARE: + + Each interface exports both functions and macros. Extension modules should + use the functions, to ensure binary compatibility across Python versions. + Because the Python implementation is free to change internal details, and + the macros may (or may not) expose details for speed, if you do use the + macros you must recompile your extensions with each Python release. + + Never mix calls to PyMem_ with calls to the platform malloc/realloc/ + calloc/free. For example, on Windows different DLLs may end up using + different heaps, and if you use PyMem_Malloc you'll get the memory from the + heap used by the Python DLL; it could be a disaster if you free()'ed that + directly in your own extension. Using PyMem_Free instead ensures Python + can return the memory to the proper heap. As another example, in + PYMALLOC_DEBUG mode, Python wraps all calls to all PyMem_ and PyObject_ + memory functions in special debugging wrappers that add additional + debugging info to dynamic memory blocks. The system routines have no idea + what to do with that stuff, and the Python wrappers have no idea what to do + with raw blocks obtained directly by the system routines then. + + The GIL must be held when using these APIs. +*/ + +/* + * Raw memory interface + * ==================== + */ + +/* Functions + + Functions supplying platform-independent semantics for malloc/realloc/ + free. These functions make sure that allocating 0 bytes returns a distinct + non-NULL pointer (whenever possible -- if we're flat out of memory, NULL + may be returned), even if the platform malloc and realloc don't. + Returned pointers must be checked for NULL explicitly. No action is + performed on failure (no exception is set, no warning is printed, etc). +*/ + +PyAPI_FUNC(void *) PyMem_Malloc(size_t size); +PyAPI_FUNC(void *) PyMem_Realloc(void *ptr, size_t new_size); +PyAPI_FUNC(void) PyMem_Free(void *ptr); + +/* Macros. */ + +/* PyMem_MALLOC(0) means malloc(1). Some systems would return NULL + for malloc(0), which would be treated as an error. Some platforms + would return a pointer with no memory behind it, which would break + pymalloc. To solve these problems, allocate an extra byte. */ +/* Returns NULL to indicate error if a negative size or size larger than + Py_ssize_t can represent is supplied. Helps prevents security holes. */ +#define PyMem_MALLOC(n) PyMem_Malloc(n) +#define PyMem_REALLOC(p, n) PyMem_Realloc(p, n) +#define PyMem_FREE(p) PyMem_Free(p) + +/* + * Type-oriented memory interface + * ============================== + * + * Allocate memory for n objects of the given type. Returns a new pointer + * or NULL if the request was too large or memory allocation failed. Use + * these macros rather than doing the multiplication yourself so that proper + * overflow checking is always done. + */ + +#define PyMem_New(type, n) \ + ( ((size_t)(n) > PY_SSIZE_T_MAX / sizeof(type)) ? NULL : \ + ( (type *) PyMem_Malloc((n) * sizeof(type)) ) ) +#define PyMem_NEW(type, n) \ + ( ((size_t)(n) > PY_SSIZE_T_MAX / sizeof(type)) ? NULL : \ + ( (type *) PyMem_MALLOC((n) * sizeof(type)) ) ) + +/* + * The value of (p) is always clobbered by this macro regardless of success. + * The caller MUST check if (p) is NULL afterwards and deal with the memory + * error if so. This means the original value of (p) MUST be saved for the + * caller's memory error handler to not lose track of it. + */ +#define PyMem_Resize(p, type, n) \ + ( (p) = ((size_t)(n) > PY_SSIZE_T_MAX / sizeof(type)) ? NULL : \ + (type *) PyMem_Realloc((p), (n) * sizeof(type)) ) +#define PyMem_RESIZE(p, type, n) \ + ( (p) = ((size_t)(n) > PY_SSIZE_T_MAX / sizeof(type)) ? NULL : \ + (type *) PyMem_REALLOC((p), (n) * sizeof(type)) ) + +/* PyMem{Del,DEL} are left over from ancient days, and shouldn't be used + * anymore. They're just confusing aliases for PyMem_{Free,FREE} now. + */ +#define PyMem_Del PyMem_Free +#define PyMem_DEL PyMem_FREE + +/* bpo-35053: expose _Py_tracemalloc_config for performance: + _Py_NewReference() needs an efficient check to test if tracemalloc is + tracing. + + It has to be defined in pymem.h, before object.h is included. */ +struct _PyTraceMalloc_Config { + /* Module initialized? + Variable protected by the GIL */ + enum { + TRACEMALLOC_NOT_INITIALIZED, + TRACEMALLOC_INITIALIZED, + TRACEMALLOC_FINALIZED + } initialized; + + /* Is tracemalloc tracing memory allocations? + Variable protected by the GIL */ + int tracing; + + /* limit of the number of frames in a traceback, 1 by default. + Variable protected by the GIL. */ + int max_nframe; + + /* use domain in trace key? + Variable protected by the GIL. */ + int use_domain; +}; + +PyAPI_DATA(struct _PyTraceMalloc_Config) _Py_tracemalloc_config; + +#define _PyTraceMalloc_Config_INIT \ + {.initialized = TRACEMALLOC_NOT_INITIALIZED, \ + .tracing = 0, \ + .max_nframe = 1, \ + .use_domain = 0} + + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_PYMEM_H +# include "cpython/pymem.h" +# undef Py_CPYTHON_PYMEM_H +#endif + +#ifdef __cplusplus +} +#endif + +#endif /* !Py_PYMEM_H */ diff --git a/python-headers-win/Include/pyport.h b/python-headers-win/Include/pyport.h new file mode 100644 index 000000000..71f5794de --- /dev/null +++ b/python-headers-win/Include/pyport.h @@ -0,0 +1,850 @@ +#ifndef Py_PYPORT_H +#define Py_PYPORT_H + +#include "pyconfig.h" /* include for defines */ + +#include + + +/* Defines to build Python and its standard library: + * + * - Py_BUILD_CORE: Build Python core. Give access to Python internals, but + * should not be used by third-party modules. + * - Py_BUILD_CORE_BUILTIN: Build a Python stdlib module as a built-in module. + * - Py_BUILD_CORE_MODULE: Build a Python stdlib module as a dynamic library. + * + * Py_BUILD_CORE_BUILTIN and Py_BUILD_CORE_MODULE imply Py_BUILD_CORE. + * + * On Windows, Py_BUILD_CORE_MODULE exports "PyInit_xxx" symbol, whereas + * Py_BUILD_CORE_BUILTIN does not. + */ +#if defined(Py_BUILD_CORE_BUILTIN) && !defined(Py_BUILD_CORE) +# define Py_BUILD_CORE +#endif +#if defined(Py_BUILD_CORE_MODULE) && !defined(Py_BUILD_CORE) +# define Py_BUILD_CORE +#endif + + +/************************************************************************** +Symbols and macros to supply platform-independent interfaces to basic +C language & library operations whose spellings vary across platforms. + +Please try to make documentation here as clear as possible: by definition, +the stuff here is trying to illuminate C's darkest corners. + +Config #defines referenced here: + +SIGNED_RIGHT_SHIFT_ZERO_FILLS +Meaning: To be defined iff i>>j does not extend the sign bit when i is a + signed integral type and i < 0. +Used in: Py_ARITHMETIC_RIGHT_SHIFT + +Py_DEBUG +Meaning: Extra checks compiled in for debug mode. +Used in: Py_SAFE_DOWNCAST + +**************************************************************************/ + +/* typedefs for some C9X-defined synonyms for integral types. + * + * The names in Python are exactly the same as the C9X names, except with a + * Py_ prefix. Until C9X is universally implemented, this is the only way + * to ensure that Python gets reliable names that don't conflict with names + * in non-Python code that are playing their own tricks to define the C9X + * names. + * + * NOTE: don't go nuts here! Python has no use for *most* of the C9X + * integral synonyms. Only define the ones we actually need. + */ + +/* long long is required. Ensure HAVE_LONG_LONG is defined for compatibility. */ +#ifndef HAVE_LONG_LONG +#define HAVE_LONG_LONG 1 +#endif +#ifndef PY_LONG_LONG +#define PY_LONG_LONG long long +/* If LLONG_MAX is defined in limits.h, use that. */ +#define PY_LLONG_MIN LLONG_MIN +#define PY_LLONG_MAX LLONG_MAX +#define PY_ULLONG_MAX ULLONG_MAX +#endif + +#define PY_UINT32_T uint32_t +#define PY_UINT64_T uint64_t + +/* Signed variants of the above */ +#define PY_INT32_T int32_t +#define PY_INT64_T int64_t + +/* If PYLONG_BITS_IN_DIGIT is not defined then we'll use 30-bit digits if all + the necessary integer types are available, and we're on a 64-bit platform + (as determined by SIZEOF_VOID_P); otherwise we use 15-bit digits. */ + +#ifndef PYLONG_BITS_IN_DIGIT +#if SIZEOF_VOID_P >= 8 +#define PYLONG_BITS_IN_DIGIT 30 +#else +#define PYLONG_BITS_IN_DIGIT 15 +#endif +#endif + +/* uintptr_t is the C9X name for an unsigned integral type such that a + * legitimate void* can be cast to uintptr_t and then back to void* again + * without loss of information. Similarly for intptr_t, wrt a signed + * integral type. + */ +typedef uintptr_t Py_uintptr_t; +typedef intptr_t Py_intptr_t; + +/* Py_ssize_t is a signed integral type such that sizeof(Py_ssize_t) == + * sizeof(size_t). C99 doesn't define such a thing directly (size_t is an + * unsigned integral type). See PEP 353 for details. + */ +#ifdef HAVE_SSIZE_T +typedef ssize_t Py_ssize_t; +#elif SIZEOF_VOID_P == SIZEOF_SIZE_T +typedef Py_intptr_t Py_ssize_t; +#else +# error "Python needs a typedef for Py_ssize_t in pyport.h." +#endif + +/* Py_hash_t is the same size as a pointer. */ +#define SIZEOF_PY_HASH_T SIZEOF_SIZE_T +typedef Py_ssize_t Py_hash_t; +/* Py_uhash_t is the unsigned equivalent needed to calculate numeric hash. */ +#define SIZEOF_PY_UHASH_T SIZEOF_SIZE_T +typedef size_t Py_uhash_t; + +/* Only used for compatibility with code that may not be PY_SSIZE_T_CLEAN. */ +#ifdef PY_SSIZE_T_CLEAN +typedef Py_ssize_t Py_ssize_clean_t; +#else +typedef int Py_ssize_clean_t; +#endif + +/* Largest possible value of size_t. */ +#define PY_SIZE_MAX SIZE_MAX + +/* Largest positive value of type Py_ssize_t. */ +#define PY_SSIZE_T_MAX ((Py_ssize_t)(((size_t)-1)>>1)) +/* Smallest negative value of type Py_ssize_t. */ +#define PY_SSIZE_T_MIN (-PY_SSIZE_T_MAX-1) + +/* PY_FORMAT_SIZE_T is a platform-specific modifier for use in a printf + * format to convert an argument with the width of a size_t or Py_ssize_t. + * C99 introduced "z" for this purpose, but not all platforms support that; + * e.g., MS compilers use "I" instead. + * + * These "high level" Python format functions interpret "z" correctly on + * all platforms (Python interprets the format string itself, and does whatever + * the platform C requires to convert a size_t/Py_ssize_t argument): + * + * PyBytes_FromFormat + * PyErr_Format + * PyBytes_FromFormatV + * PyUnicode_FromFormatV + * + * Lower-level uses require that you interpolate the correct format modifier + * yourself (e.g., calling printf, fprintf, sprintf, PyOS_snprintf); for + * example, + * + * Py_ssize_t index; + * fprintf(stderr, "index %" PY_FORMAT_SIZE_T "d sucks\n", index); + * + * That will expand to %ld, or %Id, or to something else correct for a + * Py_ssize_t on the platform. + */ +#ifndef PY_FORMAT_SIZE_T +# if SIZEOF_SIZE_T == SIZEOF_INT && !defined(__APPLE__) +# define PY_FORMAT_SIZE_T "" +# elif SIZEOF_SIZE_T == SIZEOF_LONG +# define PY_FORMAT_SIZE_T "l" +# elif defined(MS_WINDOWS) +# define PY_FORMAT_SIZE_T "I" +# else +# error "This platform's pyconfig.h needs to define PY_FORMAT_SIZE_T" +# endif +#endif + +/* Py_LOCAL can be used instead of static to get the fastest possible calling + * convention for functions that are local to a given module. + * + * Py_LOCAL_INLINE does the same thing, and also explicitly requests inlining, + * for platforms that support that. + * + * If PY_LOCAL_AGGRESSIVE is defined before python.h is included, more + * "aggressive" inlining/optimization is enabled for the entire module. This + * may lead to code bloat, and may slow things down for those reasons. It may + * also lead to errors, if the code relies on pointer aliasing. Use with + * care. + * + * NOTE: You can only use this for functions that are entirely local to a + * module; functions that are exported via method tables, callbacks, etc, + * should keep using static. + */ + +#if defined(_MSC_VER) +# if defined(PY_LOCAL_AGGRESSIVE) + /* enable more aggressive optimization for visual studio */ +# pragma optimize("agtw", on) +#endif + /* ignore warnings if the compiler decides not to inline a function */ +# pragma warning(disable: 4710) + /* fastest possible local call under MSVC */ +# define Py_LOCAL(type) static type __fastcall +# define Py_LOCAL_INLINE(type) static __inline type __fastcall +#else +# define Py_LOCAL(type) static type +# define Py_LOCAL_INLINE(type) static inline type +#endif + +/* Py_MEMCPY is kept for backwards compatibility, + * see https://bugs.python.org/issue28126 */ +#define Py_MEMCPY memcpy + +#include + +#ifdef HAVE_IEEEFP_H +#include /* needed for 'finite' declaration on some platforms */ +#endif + +#include /* Moved here from the math section, before extern "C" */ + +/******************************************** + * WRAPPER FOR and/or * + ********************************************/ + +#ifdef TIME_WITH_SYS_TIME +#include +#include +#else /* !TIME_WITH_SYS_TIME */ +#ifdef HAVE_SYS_TIME_H +#include +#else /* !HAVE_SYS_TIME_H */ +#include +#endif /* !HAVE_SYS_TIME_H */ +#endif /* !TIME_WITH_SYS_TIME */ + + +/****************************** + * WRAPPER FOR * + ******************************/ + +/* NB caller must include */ + +#ifdef HAVE_SYS_SELECT_H +#include +#endif /* !HAVE_SYS_SELECT_H */ + +/******************************* + * stat() and fstat() fiddling * + *******************************/ + +#ifdef HAVE_SYS_STAT_H +#include +#elif defined(HAVE_STAT_H) +#include +#endif + +#ifndef S_IFMT +/* VisualAge C/C++ Failed to Define MountType Field in sys/stat.h */ +#define S_IFMT 0170000 +#endif + +#ifndef S_IFLNK +/* Windows doesn't define S_IFLNK but posixmodule.c maps + * IO_REPARSE_TAG_SYMLINK to S_IFLNK */ +# define S_IFLNK 0120000 +#endif + +#ifndef S_ISREG +#define S_ISREG(x) (((x) & S_IFMT) == S_IFREG) +#endif + +#ifndef S_ISDIR +#define S_ISDIR(x) (((x) & S_IFMT) == S_IFDIR) +#endif + +#ifndef S_ISCHR +#define S_ISCHR(x) (((x) & S_IFMT) == S_IFCHR) +#endif + +#ifdef __cplusplus +/* Move this down here since some C++ #include's don't like to be included + inside an extern "C" */ +extern "C" { +#endif + + +/* Py_ARITHMETIC_RIGHT_SHIFT + * C doesn't define whether a right-shift of a signed integer sign-extends + * or zero-fills. Here a macro to force sign extension: + * Py_ARITHMETIC_RIGHT_SHIFT(TYPE, I, J) + * Return I >> J, forcing sign extension. Arithmetically, return the + * floor of I/2**J. + * Requirements: + * I should have signed integer type. In the terminology of C99, this can + * be either one of the five standard signed integer types (signed char, + * short, int, long, long long) or an extended signed integer type. + * J is an integer >= 0 and strictly less than the number of bits in the + * type of I (because C doesn't define what happens for J outside that + * range either). + * TYPE used to specify the type of I, but is now ignored. It's been left + * in for backwards compatibility with versions <= 2.6 or 3.0. + * Caution: + * I may be evaluated more than once. + */ +#ifdef SIGNED_RIGHT_SHIFT_ZERO_FILLS +#define Py_ARITHMETIC_RIGHT_SHIFT(TYPE, I, J) \ + ((I) < 0 ? -1-((-1-(I)) >> (J)) : (I) >> (J)) +#else +#define Py_ARITHMETIC_RIGHT_SHIFT(TYPE, I, J) ((I) >> (J)) +#endif + +/* Py_FORCE_EXPANSION(X) + * "Simply" returns its argument. However, macro expansions within the + * argument are evaluated. This unfortunate trickery is needed to get + * token-pasting to work as desired in some cases. + */ +#define Py_FORCE_EXPANSION(X) X + +/* Py_SAFE_DOWNCAST(VALUE, WIDE, NARROW) + * Cast VALUE to type NARROW from type WIDE. In Py_DEBUG mode, this + * assert-fails if any information is lost. + * Caution: + * VALUE may be evaluated more than once. + */ +#ifdef Py_DEBUG +#define Py_SAFE_DOWNCAST(VALUE, WIDE, NARROW) \ + (assert((WIDE)(NARROW)(VALUE) == (VALUE)), (NARROW)(VALUE)) +#else +#define Py_SAFE_DOWNCAST(VALUE, WIDE, NARROW) (NARROW)(VALUE) +#endif + +/* Py_SET_ERRNO_ON_MATH_ERROR(x) + * If a libm function did not set errno, but it looks like the result + * overflowed or not-a-number, set errno to ERANGE or EDOM. Set errno + * to 0 before calling a libm function, and invoke this macro after, + * passing the function result. + * Caution: + * This isn't reliable. See Py_OVERFLOWED comments. + * X is evaluated more than once. + */ +#if defined(__FreeBSD__) || defined(__OpenBSD__) || (defined(__hpux) && defined(__ia64)) +#define _Py_SET_EDOM_FOR_NAN(X) if (isnan(X)) errno = EDOM; +#else +#define _Py_SET_EDOM_FOR_NAN(X) ; +#endif +#define Py_SET_ERRNO_ON_MATH_ERROR(X) \ + do { \ + if (errno == 0) { \ + if ((X) == Py_HUGE_VAL || (X) == -Py_HUGE_VAL) \ + errno = ERANGE; \ + else _Py_SET_EDOM_FOR_NAN(X) \ + } \ + } while(0) + +/* Py_SET_ERANGE_IF_OVERFLOW(x) + * An alias of Py_SET_ERRNO_ON_MATH_ERROR for backward-compatibility. + */ +#define Py_SET_ERANGE_IF_OVERFLOW(X) Py_SET_ERRNO_ON_MATH_ERROR(X) + +/* Py_ADJUST_ERANGE1(x) + * Py_ADJUST_ERANGE2(x, y) + * Set errno to 0 before calling a libm function, and invoke one of these + * macros after, passing the function result(s) (Py_ADJUST_ERANGE2 is useful + * for functions returning complex results). This makes two kinds of + * adjustments to errno: (A) If it looks like the platform libm set + * errno=ERANGE due to underflow, clear errno. (B) If it looks like the + * platform libm overflowed but didn't set errno, force errno to ERANGE. In + * effect, we're trying to force a useful implementation of C89 errno + * behavior. + * Caution: + * This isn't reliable. See Py_OVERFLOWED comments. + * X and Y may be evaluated more than once. + */ +#define Py_ADJUST_ERANGE1(X) \ + do { \ + if (errno == 0) { \ + if ((X) == Py_HUGE_VAL || (X) == -Py_HUGE_VAL) \ + errno = ERANGE; \ + } \ + else if (errno == ERANGE && (X) == 0.0) \ + errno = 0; \ + } while(0) + +#define Py_ADJUST_ERANGE2(X, Y) \ + do { \ + if ((X) == Py_HUGE_VAL || (X) == -Py_HUGE_VAL || \ + (Y) == Py_HUGE_VAL || (Y) == -Py_HUGE_VAL) { \ + if (errno == 0) \ + errno = ERANGE; \ + } \ + else if (errno == ERANGE) \ + errno = 0; \ + } while(0) + +/* The functions _Py_dg_strtod and _Py_dg_dtoa in Python/dtoa.c (which are + * required to support the short float repr introduced in Python 3.1) require + * that the floating-point unit that's being used for arithmetic operations + * on C doubles is set to use 53-bit precision. It also requires that the + * FPU rounding mode is round-half-to-even, but that's less often an issue. + * + * If your FPU isn't already set to 53-bit precision/round-half-to-even, and + * you want to make use of _Py_dg_strtod and _Py_dg_dtoa, then you should + * + * #define HAVE_PY_SET_53BIT_PRECISION 1 + * + * and also give appropriate definitions for the following three macros: + * + * _PY_SET_53BIT_PRECISION_START : store original FPU settings, and + * set FPU to 53-bit precision/round-half-to-even + * _PY_SET_53BIT_PRECISION_END : restore original FPU settings + * _PY_SET_53BIT_PRECISION_HEADER : any variable declarations needed to + * use the two macros above. + * + * The macros are designed to be used within a single C function: see + * Python/pystrtod.c for an example of their use. + */ + +/* get and set x87 control word for gcc/x86 */ +#ifdef HAVE_GCC_ASM_FOR_X87 +#define HAVE_PY_SET_53BIT_PRECISION 1 +/* _Py_get/set_387controlword functions are defined in Python/pymath.c */ +#define _Py_SET_53BIT_PRECISION_HEADER \ + unsigned short old_387controlword, new_387controlword +#define _Py_SET_53BIT_PRECISION_START \ + do { \ + old_387controlword = _Py_get_387controlword(); \ + new_387controlword = (old_387controlword & ~0x0f00) | 0x0200; \ + if (new_387controlword != old_387controlword) \ + _Py_set_387controlword(new_387controlword); \ + } while (0) +#define _Py_SET_53BIT_PRECISION_END \ + if (new_387controlword != old_387controlword) \ + _Py_set_387controlword(old_387controlword) +#endif + +/* get and set x87 control word for VisualStudio/x86 */ +#if defined(_MSC_VER) && !defined(_WIN64) && !defined(_M_ARM) /* x87 not supported in 64-bit or ARM */ +#define HAVE_PY_SET_53BIT_PRECISION 1 +#define _Py_SET_53BIT_PRECISION_HEADER \ + unsigned int old_387controlword, new_387controlword, out_387controlword +/* We use the __control87_2 function to set only the x87 control word. + The SSE control word is unaffected. */ +#define _Py_SET_53BIT_PRECISION_START \ + do { \ + __control87_2(0, 0, &old_387controlword, NULL); \ + new_387controlword = \ + (old_387controlword & ~(_MCW_PC | _MCW_RC)) | (_PC_53 | _RC_NEAR); \ + if (new_387controlword != old_387controlword) \ + __control87_2(new_387controlword, _MCW_PC | _MCW_RC, \ + &out_387controlword, NULL); \ + } while (0) +#define _Py_SET_53BIT_PRECISION_END \ + do { \ + if (new_387controlword != old_387controlword) \ + __control87_2(old_387controlword, _MCW_PC | _MCW_RC, \ + &out_387controlword, NULL); \ + } while (0) +#endif + +#ifdef HAVE_GCC_ASM_FOR_MC68881 +#define HAVE_PY_SET_53BIT_PRECISION 1 +#define _Py_SET_53BIT_PRECISION_HEADER \ + unsigned int old_fpcr, new_fpcr +#define _Py_SET_53BIT_PRECISION_START \ + do { \ + __asm__ ("fmove.l %%fpcr,%0" : "=g" (old_fpcr)); \ + /* Set double precision / round to nearest. */ \ + new_fpcr = (old_fpcr & ~0xf0) | 0x80; \ + if (new_fpcr != old_fpcr) \ + __asm__ volatile ("fmove.l %0,%%fpcr" : : "g" (new_fpcr)); \ + } while (0) +#define _Py_SET_53BIT_PRECISION_END \ + do { \ + if (new_fpcr != old_fpcr) \ + __asm__ volatile ("fmove.l %0,%%fpcr" : : "g" (old_fpcr)); \ + } while (0) +#endif + +/* default definitions are empty */ +#ifndef HAVE_PY_SET_53BIT_PRECISION +#define _Py_SET_53BIT_PRECISION_HEADER +#define _Py_SET_53BIT_PRECISION_START +#define _Py_SET_53BIT_PRECISION_END +#endif + +/* If we can't guarantee 53-bit precision, don't use the code + in Python/dtoa.c, but fall back to standard code. This + means that repr of a float will be long (17 sig digits). + + Realistically, there are two things that could go wrong: + + (1) doubles aren't IEEE 754 doubles, or + (2) we're on x86 with the rounding precision set to 64-bits + (extended precision), and we don't know how to change + the rounding precision. + */ + +#if !defined(DOUBLE_IS_LITTLE_ENDIAN_IEEE754) && \ + !defined(DOUBLE_IS_BIG_ENDIAN_IEEE754) && \ + !defined(DOUBLE_IS_ARM_MIXED_ENDIAN_IEEE754) +#define PY_NO_SHORT_FLOAT_REPR +#endif + +/* double rounding is symptomatic of use of extended precision on x86. If + we're seeing double rounding, and we don't have any mechanism available for + changing the FPU rounding precision, then don't use Python/dtoa.c. */ +#if defined(X87_DOUBLE_ROUNDING) && !defined(HAVE_PY_SET_53BIT_PRECISION) +#define PY_NO_SHORT_FLOAT_REPR +#endif + + +/* Py_DEPRECATED(version) + * Declare a variable, type, or function deprecated. + * The macro must be placed before the declaration. + * Usage: + * Py_DEPRECATED(3.3) extern int old_var; + * Py_DEPRECATED(3.4) typedef int T1; + * Py_DEPRECATED(3.8) PyAPI_FUNC(int) Py_OldFunction(void); + */ +#if defined(__GNUC__) \ + && ((__GNUC__ >= 4) || (__GNUC__ == 3) && (__GNUC_MINOR__ >= 1)) +#define Py_DEPRECATED(VERSION_UNUSED) __attribute__((__deprecated__)) +#elif defined(_MSC_VER) +#define Py_DEPRECATED(VERSION) __declspec(deprecated( \ + "deprecated in " #VERSION)) +#else +#define Py_DEPRECATED(VERSION_UNUSED) +#endif + + +/* _Py_HOT_FUNCTION + * The hot attribute on a function is used to inform the compiler that the + * function is a hot spot of the compiled program. The function is optimized + * more aggressively and on many target it is placed into special subsection of + * the text section so all hot functions appears close together improving + * locality. + * + * Usage: + * int _Py_HOT_FUNCTION x(void) { return 3; } + * + * Issue #28618: This attribute must not be abused, otherwise it can have a + * negative effect on performance. Only the functions were Python spend most of + * its time must use it. Use a profiler when running performance benchmark + * suite to find these functions. + */ +#if defined(__GNUC__) \ + && ((__GNUC__ >= 5) || (__GNUC__ == 4) && (__GNUC_MINOR__ >= 3)) +#define _Py_HOT_FUNCTION __attribute__((hot)) +#else +#define _Py_HOT_FUNCTION +#endif + +/* _Py_NO_INLINE + * Disable inlining on a function. For example, it helps to reduce the C stack + * consumption. + * + * Usage: + * int _Py_NO_INLINE x(void) { return 3; } + */ +#if defined(_MSC_VER) +# define _Py_NO_INLINE __declspec(noinline) +#elif defined(__GNUC__) || defined(__clang__) +# define _Py_NO_INLINE __attribute__ ((noinline)) +#else +# define _Py_NO_INLINE +#endif + +/************************************************************************** +Prototypes that are missing from the standard include files on some systems +(and possibly only some versions of such systems.) + +Please be conservative with adding new ones, document them and enclose them +in platform-specific #ifdefs. +**************************************************************************/ + +#ifdef SOLARIS +/* Unchecked */ +extern int gethostname(char *, int); +#endif + +#ifdef HAVE__GETPTY +#include /* we need to import mode_t */ +extern char * _getpty(int *, int, mode_t, int); +#endif + +/* On QNX 6, struct termio must be declared by including sys/termio.h + if TCGETA, TCSETA, TCSETAW, or TCSETAF are used. sys/termio.h must + be included before termios.h or it will generate an error. */ +#if defined(HAVE_SYS_TERMIO_H) && !defined(__hpux) +#include +#endif + + +/* On 4.4BSD-descendants, ctype functions serves the whole range of + * wchar_t character set rather than single byte code points only. + * This characteristic can break some operations of string object + * including str.upper() and str.split() on UTF-8 locales. This + * workaround was provided by Tim Robbins of FreeBSD project. + */ + +#if defined(__APPLE__) +# define _PY_PORT_CTYPE_UTF8_ISSUE +#endif + +#ifdef _PY_PORT_CTYPE_UTF8_ISSUE +#ifndef __cplusplus + /* The workaround below is unsafe in C++ because + * the defines these symbols as real functions, + * with a slightly different signature. + * See issue #10910 + */ +#include +#include +#undef isalnum +#define isalnum(c) iswalnum(btowc(c)) +#undef isalpha +#define isalpha(c) iswalpha(btowc(c)) +#undef islower +#define islower(c) iswlower(btowc(c)) +#undef isspace +#define isspace(c) iswspace(btowc(c)) +#undef isupper +#define isupper(c) iswupper(btowc(c)) +#undef tolower +#define tolower(c) towlower(btowc(c)) +#undef toupper +#define toupper(c) towupper(btowc(c)) +#endif +#endif + + +/* Declarations for symbol visibility. + + PyAPI_FUNC(type): Declares a public Python API function and return type + PyAPI_DATA(type): Declares public Python data and its type + PyMODINIT_FUNC: A Python module init function. If these functions are + inside the Python core, they are private to the core. + If in an extension module, it may be declared with + external linkage depending on the platform. + + As a number of platforms support/require "__declspec(dllimport/dllexport)", + we support a HAVE_DECLSPEC_DLL macro to save duplication. +*/ + +/* + All windows ports, except cygwin, are handled in PC/pyconfig.h. + + Cygwin is the only other autoconf platform requiring special + linkage handling and it uses __declspec(). +*/ +#if defined(__CYGWIN__) +# define HAVE_DECLSPEC_DLL +#endif + +/* only get special linkage if built as shared or platform is Cygwin */ +#if defined(Py_ENABLE_SHARED) || defined(__CYGWIN__) +# if defined(HAVE_DECLSPEC_DLL) +# if defined(Py_BUILD_CORE) && !defined(Py_BUILD_CORE_MODULE) +# define PyAPI_FUNC(RTYPE) __declspec(dllexport) RTYPE +# define PyAPI_DATA(RTYPE) extern __declspec(dllexport) RTYPE + /* module init functions inside the core need no external linkage */ + /* except for Cygwin to handle embedding */ +# if defined(__CYGWIN__) +# define PyMODINIT_FUNC __declspec(dllexport) PyObject* +# else /* __CYGWIN__ */ +# define PyMODINIT_FUNC PyObject* +# endif /* __CYGWIN__ */ +# else /* Py_BUILD_CORE */ + /* Building an extension module, or an embedded situation */ + /* public Python functions and data are imported */ + /* Under Cygwin, auto-import functions to prevent compilation */ + /* failures similar to those described at the bottom of 4.1: */ + /* http://docs.python.org/extending/windows.html#a-cookbook-approach */ +# if !defined(__CYGWIN__) +# define PyAPI_FUNC(RTYPE) __declspec(dllimport) RTYPE +# endif /* !__CYGWIN__ */ +# define PyAPI_DATA(RTYPE) extern __declspec(dllimport) RTYPE + /* module init functions outside the core must be exported */ +# if defined(__cplusplus) +# define PyMODINIT_FUNC extern "C" __declspec(dllexport) PyObject* +# else /* __cplusplus */ +# define PyMODINIT_FUNC __declspec(dllexport) PyObject* +# endif /* __cplusplus */ +# endif /* Py_BUILD_CORE */ +# endif /* HAVE_DECLSPEC_DLL */ +#endif /* Py_ENABLE_SHARED */ + +/* If no external linkage macros defined by now, create defaults */ +#ifndef PyAPI_FUNC +# define PyAPI_FUNC(RTYPE) RTYPE +#endif +#ifndef PyAPI_DATA +# define PyAPI_DATA(RTYPE) extern RTYPE +#endif +#ifndef PyMODINIT_FUNC +# if defined(__cplusplus) +# define PyMODINIT_FUNC extern "C" PyObject* +# else /* __cplusplus */ +# define PyMODINIT_FUNC PyObject* +# endif /* __cplusplus */ +#endif + +/* limits.h constants that may be missing */ + +#ifndef INT_MAX +#define INT_MAX 2147483647 +#endif + +#ifndef LONG_MAX +#if SIZEOF_LONG == 4 +#define LONG_MAX 0X7FFFFFFFL +#elif SIZEOF_LONG == 8 +#define LONG_MAX 0X7FFFFFFFFFFFFFFFL +#else +#error "could not set LONG_MAX in pyport.h" +#endif +#endif + +#ifndef LONG_MIN +#define LONG_MIN (-LONG_MAX-1) +#endif + +#ifndef LONG_BIT +#define LONG_BIT (8 * SIZEOF_LONG) +#endif + +#if LONG_BIT != 8 * SIZEOF_LONG +/* 04-Oct-2000 LONG_BIT is apparently (mis)defined as 64 on some recent + * 32-bit platforms using gcc. We try to catch that here at compile-time + * rather than waiting for integer multiplication to trigger bogus + * overflows. + */ +#error "LONG_BIT definition appears wrong for platform (bad gcc/glibc config?)." +#endif + +#ifdef __cplusplus +} +#endif + +/* + * Hide GCC attributes from compilers that don't support them. + */ +#if (!defined(__GNUC__) || __GNUC__ < 2 || \ + (__GNUC__ == 2 && __GNUC_MINOR__ < 7) ) +#define Py_GCC_ATTRIBUTE(x) +#else +#define Py_GCC_ATTRIBUTE(x) __attribute__(x) +#endif + +/* + * Specify alignment on compilers that support it. + */ +#if defined(__GNUC__) && __GNUC__ >= 3 +#define Py_ALIGNED(x) __attribute__((aligned(x))) +#else +#define Py_ALIGNED(x) +#endif + +/* Eliminate end-of-loop code not reached warnings from SunPro C + * when using do{...}while(0) macros + */ +#ifdef __SUNPRO_C +#pragma error_messages (off,E_END_OF_LOOP_CODE_NOT_REACHED) +#endif + +#ifndef Py_LL +#define Py_LL(x) x##LL +#endif + +#ifndef Py_ULL +#define Py_ULL(x) Py_LL(x##U) +#endif + +#define Py_VA_COPY va_copy + +/* + * Convenient macros to deal with endianness of the platform. WORDS_BIGENDIAN is + * detected by configure and defined in pyconfig.h. The code in pyconfig.h + * also takes care of Apple's universal builds. + */ + +#ifdef WORDS_BIGENDIAN +#define PY_BIG_ENDIAN 1 +#define PY_LITTLE_ENDIAN 0 +#else +#define PY_BIG_ENDIAN 0 +#define PY_LITTLE_ENDIAN 1 +#endif + +#ifdef Py_BUILD_CORE +/* + * Macros to protect CRT calls against instant termination when passed an + * invalid parameter (issue23524). + */ +#if defined _MSC_VER && _MSC_VER >= 1900 + +extern _invalid_parameter_handler _Py_silent_invalid_parameter_handler; +#define _Py_BEGIN_SUPPRESS_IPH { _invalid_parameter_handler _Py_old_handler = \ + _set_thread_local_invalid_parameter_handler(_Py_silent_invalid_parameter_handler); +#define _Py_END_SUPPRESS_IPH _set_thread_local_invalid_parameter_handler(_Py_old_handler); } + +#else + +#define _Py_BEGIN_SUPPRESS_IPH +#define _Py_END_SUPPRESS_IPH + +#endif /* _MSC_VER >= 1900 */ +#endif /* Py_BUILD_CORE */ + +#ifdef __ANDROID__ + /* The Android langinfo.h header is not used. */ +# undef HAVE_LANGINFO_H +# undef CODESET +#endif + +/* Maximum value of the Windows DWORD type */ +#define PY_DWORD_MAX 4294967295U + +/* This macro used to tell whether Python was built with multithreading + * enabled. Now multithreading is always enabled, but keep the macro + * for compatibility. + */ +#ifndef WITH_THREAD +# define WITH_THREAD +#endif + +/* Check that ALT_SOABI is consistent with Py_TRACE_REFS: + ./configure --with-trace-refs should must be used to define Py_TRACE_REFS */ +#if defined(ALT_SOABI) && defined(Py_TRACE_REFS) +# error "Py_TRACE_REFS ABI is not compatible with release and debug ABI" +#endif + +#if defined(__ANDROID__) || defined(__VXWORKS__) + /* Ignore the locale encoding: force UTF-8 */ +# define _Py_FORCE_UTF8_LOCALE +#endif + +#if defined(_Py_FORCE_UTF8_LOCALE) || defined(__APPLE__) + /* Use UTF-8 as filesystem encoding */ +# define _Py_FORCE_UTF8_FS_ENCODING +#endif + +/* Mark a function which cannot return. Example: + + PyAPI_FUNC(void) _Py_NO_RETURN PyThread_exit_thread(void); */ +#if defined(__clang__) || \ + (defined(__GNUC__) && \ + ((__GNUC__ >= 3) || \ + (__GNUC__ == 2) && (__GNUC_MINOR__ >= 5))) +# define _Py_NO_RETURN __attribute__((__noreturn__)) +#elif defined(_MSC_VER) +# define _Py_NO_RETURN __declspec(noreturn) +#else +# define _Py_NO_RETURN +#endif + +#endif /* Py_PYPORT_H */ diff --git a/python-headers-win/Include/pystate.h b/python-headers-win/Include/pystate.h new file mode 100644 index 000000000..4c25e3f7e --- /dev/null +++ b/python-headers-win/Include/pystate.h @@ -0,0 +1,136 @@ +/* Thread and interpreter state structures and their interfaces */ + + +#ifndef Py_PYSTATE_H +#define Py_PYSTATE_H +#ifdef __cplusplus +extern "C" { +#endif + +#include "pythread.h" + +/* This limitation is for performance and simplicity. If needed it can be +removed (with effort). */ +#define MAX_CO_EXTRA_USERS 255 + +/* Forward declarations for PyFrameObject, PyThreadState + and PyInterpreterState */ +struct _frame; +struct _ts; +struct _is; + +/* struct _ts is defined in cpython/pystate.h */ +typedef struct _ts PyThreadState; +/* struct _is is defined in internal/pycore_pystate.h */ +typedef struct _is PyInterpreterState; + +PyAPI_FUNC(PyInterpreterState *) PyInterpreterState_New(void); +PyAPI_FUNC(void) PyInterpreterState_Clear(PyInterpreterState *); +PyAPI_FUNC(void) PyInterpreterState_Delete(PyInterpreterState *); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03080000 +/* New in 3.8 */ +PyAPI_FUNC(PyObject *) PyInterpreterState_GetDict(PyInterpreterState *); +#endif + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03070000 +/* New in 3.7 */ +PyAPI_FUNC(int64_t) PyInterpreterState_GetID(PyInterpreterState *); +#endif +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 + +/* State unique per thread */ + +/* New in 3.3 */ +PyAPI_FUNC(int) PyState_AddModule(PyObject*, struct PyModuleDef*); +PyAPI_FUNC(int) PyState_RemoveModule(struct PyModuleDef*); +#endif +PyAPI_FUNC(PyObject*) PyState_FindModule(struct PyModuleDef*); + +PyAPI_FUNC(PyThreadState *) PyThreadState_New(PyInterpreterState *); +PyAPI_FUNC(void) PyThreadState_Clear(PyThreadState *); +PyAPI_FUNC(void) PyThreadState_Delete(PyThreadState *); +PyAPI_FUNC(void) PyThreadState_DeleteCurrent(void); + +/* Get the current thread state. + + When the current thread state is NULL, this issues a fatal error (so that + the caller needn't check for NULL). + + The caller must hold the GIL. + + See also PyThreadState_GET() and _PyThreadState_GET(). */ +PyAPI_FUNC(PyThreadState *) PyThreadState_Get(void); + +/* Get the current Python thread state. + + Macro using PyThreadState_Get() or _PyThreadState_GET() depending if + pycore_pystate.h is included or not (this header redefines the macro). + + If PyThreadState_Get() is used, issue a fatal error if the current thread + state is NULL. + + See also PyThreadState_Get() and _PyThreadState_GET(). */ +#define PyThreadState_GET() PyThreadState_Get() + +PyAPI_FUNC(PyThreadState *) PyThreadState_Swap(PyThreadState *); +PyAPI_FUNC(PyObject *) PyThreadState_GetDict(void); +PyAPI_FUNC(int) PyThreadState_SetAsyncExc(unsigned long, PyObject *); + +typedef + enum {PyGILState_LOCKED, PyGILState_UNLOCKED} + PyGILState_STATE; + + +/* Ensure that the current thread is ready to call the Python + C API, regardless of the current state of Python, or of its + thread lock. This may be called as many times as desired + by a thread so long as each call is matched with a call to + PyGILState_Release(). In general, other thread-state APIs may + be used between _Ensure() and _Release() calls, so long as the + thread-state is restored to its previous state before the Release(). + For example, normal use of the Py_BEGIN_ALLOW_THREADS/ + Py_END_ALLOW_THREADS macros are acceptable. + + The return value is an opaque "handle" to the thread state when + PyGILState_Ensure() was called, and must be passed to + PyGILState_Release() to ensure Python is left in the same state. Even + though recursive calls are allowed, these handles can *not* be shared - + each unique call to PyGILState_Ensure must save the handle for its + call to PyGILState_Release. + + When the function returns, the current thread will hold the GIL. + + Failure is a fatal error. +*/ +PyAPI_FUNC(PyGILState_STATE) PyGILState_Ensure(void); + +/* Release any resources previously acquired. After this call, Python's + state will be the same as it was prior to the corresponding + PyGILState_Ensure() call (but generally this state will be unknown to + the caller, hence the use of the GILState API.) + + Every call to PyGILState_Ensure must be matched by a call to + PyGILState_Release on the same thread. +*/ +PyAPI_FUNC(void) PyGILState_Release(PyGILState_STATE); + +/* Helper/diagnostic function - get the current thread state for + this thread. May return NULL if no GILState API has been used + on the current thread. Note that the main thread always has such a + thread-state, even if no auto-thread-state call has been made + on the main thread. +*/ +PyAPI_FUNC(PyThreadState *) PyGILState_GetThisThreadState(void); + + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_PYSTATE_H +# include "cpython/pystate.h" +# undef Py_CPYTHON_PYSTATE_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_PYSTATE_H */ diff --git a/python-headers-win/Include/pystrcmp.h b/python-headers-win/Include/pystrcmp.h new file mode 100644 index 000000000..edb12397e --- /dev/null +++ b/python-headers-win/Include/pystrcmp.h @@ -0,0 +1,23 @@ +#ifndef Py_STRCMP_H +#define Py_STRCMP_H + +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_FUNC(int) PyOS_mystrnicmp(const char *, const char *, Py_ssize_t); +PyAPI_FUNC(int) PyOS_mystricmp(const char *, const char *); + +#ifdef MS_WINDOWS +#define PyOS_strnicmp strnicmp +#define PyOS_stricmp stricmp +#else +#define PyOS_strnicmp PyOS_mystrnicmp +#define PyOS_stricmp PyOS_mystricmp +#endif + +#ifdef __cplusplus +} +#endif + +#endif /* !Py_STRCMP_H */ diff --git a/python-headers-win/Include/pystrhex.h b/python-headers-win/Include/pystrhex.h new file mode 100644 index 000000000..a4f36305b --- /dev/null +++ b/python-headers-win/Include/pystrhex.h @@ -0,0 +1,22 @@ +#ifndef Py_STRHEX_H +#define Py_STRHEX_H + +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +/* Returns a str() containing the hex representation of argbuf. */ +PyAPI_FUNC(PyObject*) _Py_strhex(const char* argbuf, const Py_ssize_t arglen); +/* Returns a bytes() containing the ASCII hex representation of argbuf. */ +PyAPI_FUNC(PyObject*) _Py_strhex_bytes(const char* argbuf, const Py_ssize_t arglen); +/* These variants include support for a separator between every N bytes: */ +PyAPI_FUNC(PyObject*) _Py_strhex_with_sep(const char* argbuf, const Py_ssize_t arglen, const PyObject* sep, const int bytes_per_group); +PyAPI_FUNC(PyObject*) _Py_strhex_bytes_with_sep(const char* argbuf, const Py_ssize_t arglen, const PyObject* sep, const int bytes_per_group); +#endif /* !Py_LIMITED_API */ + +#ifdef __cplusplus +} +#endif + +#endif /* !Py_STRHEX_H */ diff --git a/python-headers-win/Include/pystrtod.h b/python-headers-win/Include/pystrtod.h new file mode 100644 index 000000000..c1e84de6f --- /dev/null +++ b/python-headers-win/Include/pystrtod.h @@ -0,0 +1,45 @@ +#ifndef Py_STRTOD_H +#define Py_STRTOD_H + +#ifdef __cplusplus +extern "C" { +#endif + + +PyAPI_FUNC(double) PyOS_string_to_double(const char *str, + char **endptr, + PyObject *overflow_exception); + +/* The caller is responsible for calling PyMem_Free to free the buffer + that's is returned. */ +PyAPI_FUNC(char *) PyOS_double_to_string(double val, + char format_code, + int precision, + int flags, + int *type); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _Py_string_to_number_with_underscores( + const char *str, Py_ssize_t len, const char *what, PyObject *obj, void *arg, + PyObject *(*innerfunc)(const char *, Py_ssize_t, void *)); + +PyAPI_FUNC(double) _Py_parse_inf_or_nan(const char *p, char **endptr); +#endif + + +/* PyOS_double_to_string's "flags" parameter can be set to 0 or more of: */ +#define Py_DTSF_SIGN 0x01 /* always add the sign */ +#define Py_DTSF_ADD_DOT_0 0x02 /* if the result is an integer add ".0" */ +#define Py_DTSF_ALT 0x04 /* "alternate" formatting. it's format_code + specific */ + +/* PyOS_double_to_string's "type", if non-NULL, will be set to one of: */ +#define Py_DTST_FINITE 0 +#define Py_DTST_INFINITE 1 +#define Py_DTST_NAN 2 + +#ifdef __cplusplus +} +#endif + +#endif /* !Py_STRTOD_H */ diff --git a/python-headers-win/Include/pythonrun.h b/python-headers-win/Include/pythonrun.h new file mode 100644 index 000000000..46091e092 --- /dev/null +++ b/python-headers-win/Include/pythonrun.h @@ -0,0 +1,210 @@ + +/* Interfaces to parse and execute pieces of python code */ + +#ifndef Py_PYTHONRUN_H +#define Py_PYTHONRUN_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) PyRun_SimpleStringFlags(const char *, PyCompilerFlags *); +PyAPI_FUNC(int) PyRun_AnyFileExFlags( + FILE *fp, + const char *filename, /* decoded from the filesystem encoding */ + int closeit, + PyCompilerFlags *flags); +PyAPI_FUNC(int) PyRun_SimpleFileExFlags( + FILE *fp, + const char *filename, /* decoded from the filesystem encoding */ + int closeit, + PyCompilerFlags *flags); +PyAPI_FUNC(int) PyRun_InteractiveOneFlags( + FILE *fp, + const char *filename, /* decoded from the filesystem encoding */ + PyCompilerFlags *flags); +PyAPI_FUNC(int) PyRun_InteractiveOneObject( + FILE *fp, + PyObject *filename, + PyCompilerFlags *flags); +PyAPI_FUNC(int) PyRun_InteractiveLoopFlags( + FILE *fp, + const char *filename, /* decoded from the filesystem encoding */ + PyCompilerFlags *flags); + +PyAPI_FUNC(struct _mod *) PyParser_ASTFromString( + const char *s, + const char *filename, /* decoded from the filesystem encoding */ + int start, + PyCompilerFlags *flags, + PyArena *arena); +PyAPI_FUNC(struct _mod *) PyParser_ASTFromStringObject( + const char *s, + PyObject *filename, + int start, + PyCompilerFlags *flags, + PyArena *arena); +PyAPI_FUNC(struct _mod *) PyParser_ASTFromFile( + FILE *fp, + const char *filename, /* decoded from the filesystem encoding */ + const char* enc, + int start, + const char *ps1, + const char *ps2, + PyCompilerFlags *flags, + int *errcode, + PyArena *arena); +PyAPI_FUNC(struct _mod *) PyParser_ASTFromFileObject( + FILE *fp, + PyObject *filename, + const char* enc, + int start, + const char *ps1, + const char *ps2, + PyCompilerFlags *flags, + int *errcode, + PyArena *arena); +#endif + +#ifndef PyParser_SimpleParseString +#define PyParser_SimpleParseString(S, B) \ + PyParser_SimpleParseStringFlags(S, B, 0) +#define PyParser_SimpleParseFile(FP, S, B) \ + PyParser_SimpleParseFileFlags(FP, S, B, 0) +#endif +PyAPI_FUNC(struct _node *) PyParser_SimpleParseStringFlags(const char *, int, + int); +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(struct _node *) PyParser_SimpleParseStringFlagsFilename(const char *, + const char *, + int, int); +#endif +PyAPI_FUNC(struct _node *) PyParser_SimpleParseFileFlags(FILE *, const char *, + int, int); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) PyRun_StringFlags(const char *, int, PyObject *, + PyObject *, PyCompilerFlags *); + +PyAPI_FUNC(PyObject *) PyRun_FileExFlags( + FILE *fp, + const char *filename, /* decoded from the filesystem encoding */ + int start, + PyObject *globals, + PyObject *locals, + int closeit, + PyCompilerFlags *flags); +#endif + +#ifdef Py_LIMITED_API +PyAPI_FUNC(PyObject *) Py_CompileString(const char *, const char *, int); +#else +#define Py_CompileString(str, p, s) Py_CompileStringExFlags(str, p, s, NULL, -1) +#define Py_CompileStringFlags(str, p, s, f) Py_CompileStringExFlags(str, p, s, f, -1) +PyAPI_FUNC(PyObject *) Py_CompileStringExFlags( + const char *str, + const char *filename, /* decoded from the filesystem encoding */ + int start, + PyCompilerFlags *flags, + int optimize); +PyAPI_FUNC(PyObject *) Py_CompileStringObject( + const char *str, + PyObject *filename, int start, + PyCompilerFlags *flags, + int optimize); +#endif +PyAPI_FUNC(struct symtable *) Py_SymtableString( + const char *str, + const char *filename, /* decoded from the filesystem encoding */ + int start); +#ifndef Py_LIMITED_API +PyAPI_FUNC(const char *) _Py_SourceAsString( + PyObject *cmd, + const char *funcname, + const char *what, + PyCompilerFlags *cf, + PyObject **cmd_copy); + +PyAPI_FUNC(struct symtable *) Py_SymtableStringObject( + const char *str, + PyObject *filename, + int start); + +PyAPI_FUNC(struct symtable *) _Py_SymtableStringObjectFlags( + const char *str, + PyObject *filename, + int start, + PyCompilerFlags *flags); +#endif + +PyAPI_FUNC(void) PyErr_Print(void); +PyAPI_FUNC(void) PyErr_PrintEx(int); +PyAPI_FUNC(void) PyErr_Display(PyObject *, PyObject *, PyObject *); + +#ifndef Py_LIMITED_API +/* A function flavor is also exported by libpython. It is required when + libpython is accessed directly rather than using header files which defines + macros below. On Windows, for example, PyAPI_FUNC() uses dllexport to + export functions in pythonXX.dll. */ +PyAPI_FUNC(PyObject *) PyRun_String(const char *str, int s, PyObject *g, PyObject *l); +PyAPI_FUNC(int) PyRun_AnyFile(FILE *fp, const char *name); +PyAPI_FUNC(int) PyRun_AnyFileEx(FILE *fp, const char *name, int closeit); +PyAPI_FUNC(int) PyRun_AnyFileFlags(FILE *, const char *, PyCompilerFlags *); +PyAPI_FUNC(int) PyRun_SimpleString(const char *s); +PyAPI_FUNC(int) PyRun_SimpleFile(FILE *f, const char *p); +PyAPI_FUNC(int) PyRun_SimpleFileEx(FILE *f, const char *p, int c); +PyAPI_FUNC(int) PyRun_InteractiveOne(FILE *f, const char *p); +PyAPI_FUNC(int) PyRun_InteractiveLoop(FILE *f, const char *p); +PyAPI_FUNC(PyObject *) PyRun_File(FILE *fp, const char *p, int s, PyObject *g, PyObject *l); +PyAPI_FUNC(PyObject *) PyRun_FileEx(FILE *fp, const char *p, int s, PyObject *g, PyObject *l, int c); +PyAPI_FUNC(PyObject *) PyRun_FileFlags(FILE *fp, const char *p, int s, PyObject *g, PyObject *l, PyCompilerFlags *flags); + +/* Use macros for a bunch of old variants */ +#define PyRun_String(str, s, g, l) PyRun_StringFlags(str, s, g, l, NULL) +#define PyRun_AnyFile(fp, name) PyRun_AnyFileExFlags(fp, name, 0, NULL) +#define PyRun_AnyFileEx(fp, name, closeit) \ + PyRun_AnyFileExFlags(fp, name, closeit, NULL) +#define PyRun_AnyFileFlags(fp, name, flags) \ + PyRun_AnyFileExFlags(fp, name, 0, flags) +#define PyRun_SimpleString(s) PyRun_SimpleStringFlags(s, NULL) +#define PyRun_SimpleFile(f, p) PyRun_SimpleFileExFlags(f, p, 0, NULL) +#define PyRun_SimpleFileEx(f, p, c) PyRun_SimpleFileExFlags(f, p, c, NULL) +#define PyRun_InteractiveOne(f, p) PyRun_InteractiveOneFlags(f, p, NULL) +#define PyRun_InteractiveLoop(f, p) PyRun_InteractiveLoopFlags(f, p, NULL) +#define PyRun_File(fp, p, s, g, l) \ + PyRun_FileExFlags(fp, p, s, g, l, 0, NULL) +#define PyRun_FileEx(fp, p, s, g, l, c) \ + PyRun_FileExFlags(fp, p, s, g, l, c, NULL) +#define PyRun_FileFlags(fp, p, s, g, l, flags) \ + PyRun_FileExFlags(fp, p, s, g, l, 0, flags) +#endif + +/* Stuff with no proper home (yet) */ +#ifndef Py_LIMITED_API +PyAPI_FUNC(char *) PyOS_Readline(FILE *, FILE *, const char *); +#endif +PyAPI_DATA(int) (*PyOS_InputHook)(void); +PyAPI_DATA(char) *(*PyOS_ReadlineFunctionPointer)(FILE *, FILE *, const char *); +#ifndef Py_LIMITED_API +PyAPI_DATA(PyThreadState*) _PyOS_ReadlineTState; +#endif + +/* Stack size, in "pointers" (so we get extra safety margins + on 64-bit platforms). On a 32-bit platform, this translates + to an 8k margin. */ +#define PYOS_STACK_MARGIN 2048 + +#if defined(WIN32) && !defined(MS_WIN64) && !defined(_M_ARM) && defined(_MSC_VER) && _MSC_VER >= 1300 +/* Enable stack checking under Microsoft C */ +#define USE_STACKCHECK +#endif + +#ifdef USE_STACKCHECK +/* Check that we aren't overflowing our stack */ +PyAPI_FUNC(int) PyOS_CheckStack(void); +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_PYTHONRUN_H */ diff --git a/python-headers-win/Include/pythread.h b/python-headers-win/Include/pythread.h new file mode 100644 index 000000000..f22e8c42c --- /dev/null +++ b/python-headers-win/Include/pythread.h @@ -0,0 +1,161 @@ + +#ifndef Py_PYTHREAD_H +#define Py_PYTHREAD_H + +typedef void *PyThread_type_lock; +typedef void *PyThread_type_sema; + +#ifdef __cplusplus +extern "C" { +#endif + +/* Return status codes for Python lock acquisition. Chosen for maximum + * backwards compatibility, ie failure -> 0, success -> 1. */ +typedef enum PyLockStatus { + PY_LOCK_FAILURE = 0, + PY_LOCK_ACQUIRED = 1, + PY_LOCK_INTR +} PyLockStatus; + +#ifndef Py_LIMITED_API +#define PYTHREAD_INVALID_THREAD_ID ((unsigned long)-1) +#endif + +PyAPI_FUNC(void) PyThread_init_thread(void); +PyAPI_FUNC(unsigned long) PyThread_start_new_thread(void (*)(void *), void *); +PyAPI_FUNC(void) _Py_NO_RETURN PyThread_exit_thread(void); +PyAPI_FUNC(unsigned long) PyThread_get_thread_ident(void); + +#if defined(__APPLE__) || defined(__linux__) || defined(__FreeBSD__) || defined(__OpenBSD__) || defined(__NetBSD__) || defined(_WIN32) || defined(_AIX) +#define PY_HAVE_THREAD_NATIVE_ID +PyAPI_FUNC(unsigned long) PyThread_get_thread_native_id(void); +#endif + +PyAPI_FUNC(PyThread_type_lock) PyThread_allocate_lock(void); +PyAPI_FUNC(void) PyThread_free_lock(PyThread_type_lock); +PyAPI_FUNC(int) PyThread_acquire_lock(PyThread_type_lock, int); +#define WAIT_LOCK 1 +#define NOWAIT_LOCK 0 + +/* PY_TIMEOUT_T is the integral type used to specify timeouts when waiting + on a lock (see PyThread_acquire_lock_timed() below). + PY_TIMEOUT_MAX is the highest usable value (in microseconds) of that + type, and depends on the system threading API. + + NOTE: this isn't the same value as `_thread.TIMEOUT_MAX`. The _thread + module exposes a higher-level API, with timeouts expressed in seconds + and floating-point numbers allowed. +*/ +#define PY_TIMEOUT_T long long + +#if defined(_POSIX_THREADS) + /* PyThread_acquire_lock_timed() uses _PyTime_FromNanoseconds(us * 1000), + convert microseconds to nanoseconds. */ +# define PY_TIMEOUT_MAX (PY_LLONG_MAX / 1000) +#elif defined (NT_THREADS) + /* In the NT API, the timeout is a DWORD and is expressed in milliseconds */ +# if 0xFFFFFFFFLL * 1000 < PY_LLONG_MAX +# define PY_TIMEOUT_MAX (0xFFFFFFFFLL * 1000) +# else +# define PY_TIMEOUT_MAX PY_LLONG_MAX +# endif +#else +# define PY_TIMEOUT_MAX PY_LLONG_MAX +#endif + + +/* If microseconds == 0, the call is non-blocking: it returns immediately + even when the lock can't be acquired. + If microseconds > 0, the call waits up to the specified duration. + If microseconds < 0, the call waits until success (or abnormal failure) + + microseconds must be less than PY_TIMEOUT_MAX. Behaviour otherwise is + undefined. + + If intr_flag is true and the acquire is interrupted by a signal, then the + call will return PY_LOCK_INTR. The caller may reattempt to acquire the + lock. +*/ +PyAPI_FUNC(PyLockStatus) PyThread_acquire_lock_timed(PyThread_type_lock, + PY_TIMEOUT_T microseconds, + int intr_flag); + +PyAPI_FUNC(void) PyThread_release_lock(PyThread_type_lock); + +PyAPI_FUNC(size_t) PyThread_get_stacksize(void); +PyAPI_FUNC(int) PyThread_set_stacksize(size_t); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject*) PyThread_GetInfo(void); +#endif + + +/* Thread Local Storage (TLS) API + TLS API is DEPRECATED. Use Thread Specific Storage (TSS) API. + + The existing TLS API has used int to represent TLS keys across all + platforms, but it is not POSIX-compliant. Therefore, the new TSS API uses + opaque data type to represent TSS keys to be compatible (see PEP 539). +*/ +Py_DEPRECATED(3.7) PyAPI_FUNC(int) PyThread_create_key(void); +Py_DEPRECATED(3.7) PyAPI_FUNC(void) PyThread_delete_key(int key); +Py_DEPRECATED(3.7) PyAPI_FUNC(int) PyThread_set_key_value(int key, + void *value); +Py_DEPRECATED(3.7) PyAPI_FUNC(void *) PyThread_get_key_value(int key); +Py_DEPRECATED(3.7) PyAPI_FUNC(void) PyThread_delete_key_value(int key); + +/* Cleanup after a fork */ +Py_DEPRECATED(3.7) PyAPI_FUNC(void) PyThread_ReInitTLS(void); + + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03070000 +/* New in 3.7 */ +/* Thread Specific Storage (TSS) API */ + +typedef struct _Py_tss_t Py_tss_t; /* opaque */ + +#ifndef Py_LIMITED_API +#if defined(_POSIX_THREADS) + /* Darwin needs pthread.h to know type name the pthread_key_t. */ +# include +# define NATIVE_TSS_KEY_T pthread_key_t +#elif defined(NT_THREADS) + /* In Windows, native TSS key type is DWORD, + but hardcode the unsigned long to avoid errors for include directive. + */ +# define NATIVE_TSS_KEY_T unsigned long +#else +# error "Require native threads. See https://bugs.python.org/issue31370" +#endif + +/* When Py_LIMITED_API is not defined, the type layout of Py_tss_t is + exposed to allow static allocation in the API clients. Even in this case, + you must handle TSS keys through API functions due to compatibility. +*/ +struct _Py_tss_t { + int _is_initialized; + NATIVE_TSS_KEY_T _key; +}; + +#undef NATIVE_TSS_KEY_T + +/* When static allocation, you must initialize with Py_tss_NEEDS_INIT. */ +#define Py_tss_NEEDS_INIT {0} +#endif /* !Py_LIMITED_API */ + +PyAPI_FUNC(Py_tss_t *) PyThread_tss_alloc(void); +PyAPI_FUNC(void) PyThread_tss_free(Py_tss_t *key); + +/* The parameter key must not be NULL. */ +PyAPI_FUNC(int) PyThread_tss_is_created(Py_tss_t *key); +PyAPI_FUNC(int) PyThread_tss_create(Py_tss_t *key); +PyAPI_FUNC(void) PyThread_tss_delete(Py_tss_t *key); +PyAPI_FUNC(int) PyThread_tss_set(Py_tss_t *key, void *value); +PyAPI_FUNC(void *) PyThread_tss_get(Py_tss_t *key); +#endif /* New in 3.7 */ + +#ifdef __cplusplus +} +#endif + +#endif /* !Py_PYTHREAD_H */ diff --git a/python-headers-win/Include/pytime.h b/python-headers-win/Include/pytime.h new file mode 100644 index 000000000..bdda1da2e --- /dev/null +++ b/python-headers-win/Include/pytime.h @@ -0,0 +1,246 @@ +#ifndef Py_LIMITED_API +#ifndef Py_PYTIME_H +#define Py_PYTIME_H + +#include "pyconfig.h" /* include for defines */ +#include "object.h" + +/************************************************************************** +Symbols and macros to supply platform-independent interfaces to time related +functions and constants +**************************************************************************/ +#ifdef __cplusplus +extern "C" { +#endif + +/* _PyTime_t: Python timestamp with subsecond precision. It can be used to + store a duration, and so indirectly a date (related to another date, like + UNIX epoch). */ +typedef int64_t _PyTime_t; +#define _PyTime_MIN INT64_MIN +#define _PyTime_MAX INT64_MAX + +typedef enum { + /* Round towards minus infinity (-inf). + For example, used to read a clock. */ + _PyTime_ROUND_FLOOR=0, + /* Round towards infinity (+inf). + For example, used for timeout to wait "at least" N seconds. */ + _PyTime_ROUND_CEILING=1, + /* Round to nearest with ties going to nearest even integer. + For example, used to round from a Python float. */ + _PyTime_ROUND_HALF_EVEN=2, + /* Round away from zero + For example, used for timeout. _PyTime_ROUND_CEILING rounds + -1e-9 to 0 milliseconds which causes bpo-31786 issue. + _PyTime_ROUND_UP rounds -1e-9 to -1 millisecond which keeps + the timeout sign as expected. select.poll(timeout) must block + for negative values." */ + _PyTime_ROUND_UP=3, + /* _PyTime_ROUND_TIMEOUT (an alias for _PyTime_ROUND_UP) should be + used for timeouts. */ + _PyTime_ROUND_TIMEOUT = _PyTime_ROUND_UP +} _PyTime_round_t; + + +/* Convert a time_t to a PyLong. */ +PyAPI_FUNC(PyObject *) _PyLong_FromTime_t( + time_t sec); + +/* Convert a PyLong to a time_t. */ +PyAPI_FUNC(time_t) _PyLong_AsTime_t( + PyObject *obj); + +/* Convert a number of seconds, int or float, to time_t. */ +PyAPI_FUNC(int) _PyTime_ObjectToTime_t( + PyObject *obj, + time_t *sec, + _PyTime_round_t); + +/* Convert a number of seconds, int or float, to a timeval structure. + usec is in the range [0; 999999] and rounded towards zero. + For example, -1.2 is converted to (-2, 800000). */ +PyAPI_FUNC(int) _PyTime_ObjectToTimeval( + PyObject *obj, + time_t *sec, + long *usec, + _PyTime_round_t); + +/* Convert a number of seconds, int or float, to a timespec structure. + nsec is in the range [0; 999999999] and rounded towards zero. + For example, -1.2 is converted to (-2, 800000000). */ +PyAPI_FUNC(int) _PyTime_ObjectToTimespec( + PyObject *obj, + time_t *sec, + long *nsec, + _PyTime_round_t); + + +/* Create a timestamp from a number of seconds. */ +PyAPI_FUNC(_PyTime_t) _PyTime_FromSeconds(int seconds); + +/* Macro to create a timestamp from a number of seconds, no integer overflow. + Only use the macro for small values, prefer _PyTime_FromSeconds(). */ +#define _PYTIME_FROMSECONDS(seconds) \ + ((_PyTime_t)(seconds) * (1000 * 1000 * 1000)) + +/* Create a timestamp from a number of nanoseconds. */ +PyAPI_FUNC(_PyTime_t) _PyTime_FromNanoseconds(_PyTime_t ns); + +/* Create a timestamp from nanoseconds (Python int). */ +PyAPI_FUNC(int) _PyTime_FromNanosecondsObject(_PyTime_t *t, + PyObject *obj); + +/* Convert a number of seconds (Python float or int) to a timetamp. + Raise an exception and return -1 on error, return 0 on success. */ +PyAPI_FUNC(int) _PyTime_FromSecondsObject(_PyTime_t *t, + PyObject *obj, + _PyTime_round_t round); + +/* Convert a number of milliseconds (Python float or int, 10^-3) to a timetamp. + Raise an exception and return -1 on error, return 0 on success. */ +PyAPI_FUNC(int) _PyTime_FromMillisecondsObject(_PyTime_t *t, + PyObject *obj, + _PyTime_round_t round); + +/* Convert a timestamp to a number of seconds as a C double. */ +PyAPI_FUNC(double) _PyTime_AsSecondsDouble(_PyTime_t t); + +/* Convert timestamp to a number of milliseconds (10^-3 seconds). */ +PyAPI_FUNC(_PyTime_t) _PyTime_AsMilliseconds(_PyTime_t t, + _PyTime_round_t round); + +/* Convert timestamp to a number of microseconds (10^-6 seconds). */ +PyAPI_FUNC(_PyTime_t) _PyTime_AsMicroseconds(_PyTime_t t, + _PyTime_round_t round); + +/* Convert timestamp to a number of nanoseconds (10^-9 seconds) as a Python int + object. */ +PyAPI_FUNC(PyObject *) _PyTime_AsNanosecondsObject(_PyTime_t t); + +/* Create a timestamp from a timeval structure. + Raise an exception and return -1 on overflow, return 0 on success. */ +PyAPI_FUNC(int) _PyTime_FromTimeval(_PyTime_t *tp, struct timeval *tv); + +/* Convert a timestamp to a timeval structure (microsecond resolution). + tv_usec is always positive. + Raise an exception and return -1 if the conversion overflowed, + return 0 on success. */ +PyAPI_FUNC(int) _PyTime_AsTimeval(_PyTime_t t, + struct timeval *tv, + _PyTime_round_t round); + +/* Similar to _PyTime_AsTimeval(), but don't raise an exception on error. */ +PyAPI_FUNC(int) _PyTime_AsTimeval_noraise(_PyTime_t t, + struct timeval *tv, + _PyTime_round_t round); + +/* Convert a timestamp to a number of seconds (secs) and microseconds (us). + us is always positive. This function is similar to _PyTime_AsTimeval() + except that secs is always a time_t type, whereas the timeval structure + uses a C long for tv_sec on Windows. + Raise an exception and return -1 if the conversion overflowed, + return 0 on success. */ +PyAPI_FUNC(int) _PyTime_AsTimevalTime_t( + _PyTime_t t, + time_t *secs, + int *us, + _PyTime_round_t round); + +#if defined(HAVE_CLOCK_GETTIME) || defined(HAVE_KQUEUE) +/* Create a timestamp from a timespec structure. + Raise an exception and return -1 on overflow, return 0 on success. */ +PyAPI_FUNC(int) _PyTime_FromTimespec(_PyTime_t *tp, struct timespec *ts); + +/* Convert a timestamp to a timespec structure (nanosecond resolution). + tv_nsec is always positive. + Raise an exception and return -1 on error, return 0 on success. */ +PyAPI_FUNC(int) _PyTime_AsTimespec(_PyTime_t t, struct timespec *ts); +#endif + +/* Compute ticks * mul / div. + The caller must ensure that ((div - 1) * mul) cannot overflow. */ +PyAPI_FUNC(_PyTime_t) _PyTime_MulDiv(_PyTime_t ticks, + _PyTime_t mul, + _PyTime_t div); + +/* Get the current time from the system clock. + + The function cannot fail. _PyTime_Init() ensures that the system clock + works. */ +PyAPI_FUNC(_PyTime_t) _PyTime_GetSystemClock(void); + +/* Get the time of a monotonic clock, i.e. a clock that cannot go backwards. + The clock is not affected by system clock updates. The reference point of + the returned value is undefined, so that only the difference between the + results of consecutive calls is valid. + + The function cannot fail. _PyTime_Init() ensures that a monotonic clock + is available and works. */ +PyAPI_FUNC(_PyTime_t) _PyTime_GetMonotonicClock(void); + + +/* Structure used by time.get_clock_info() */ +typedef struct { + const char *implementation; + int monotonic; + int adjustable; + double resolution; +} _Py_clock_info_t; + +/* Get the current time from the system clock. + * Fill clock information if info is not NULL. + * Raise an exception and return -1 on error, return 0 on success. + */ +PyAPI_FUNC(int) _PyTime_GetSystemClockWithInfo( + _PyTime_t *t, + _Py_clock_info_t *info); + +/* Get the time of a monotonic clock, i.e. a clock that cannot go backwards. + The clock is not affected by system clock updates. The reference point of + the returned value is undefined, so that only the difference between the + results of consecutive calls is valid. + + Fill info (if set) with information of the function used to get the time. + + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) _PyTime_GetMonotonicClockWithInfo( + _PyTime_t *t, + _Py_clock_info_t *info); + + +/* Initialize time. + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) _PyTime_Init(void); + +/* Converts a timestamp to the Gregorian time, using the local time zone. + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) _PyTime_localtime(time_t t, struct tm *tm); + +/* Converts a timestamp to the Gregorian time, assuming UTC. + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) _PyTime_gmtime(time_t t, struct tm *tm); + +/* Get the performance counter: clock with the highest available resolution to + measure a short duration. + + The function cannot fail. _PyTime_Init() ensures that the system clock + works. */ +PyAPI_FUNC(_PyTime_t) _PyTime_GetPerfCounter(void); + +/* Get the performance counter: clock with the highest available resolution to + measure a short duration. + + Fill info (if set) with information of the function used to get the time. + + Return 0 on success, raise an exception and return -1 on error. */ +PyAPI_FUNC(int) _PyTime_GetPerfCounterWithInfo( + _PyTime_t *t, + _Py_clock_info_t *info); + +#ifdef __cplusplus +} +#endif + +#endif /* Py_PYTIME_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/rangeobject.h b/python-headers-win/Include/rangeobject.h new file mode 100644 index 000000000..7e4dc2889 --- /dev/null +++ b/python-headers-win/Include/rangeobject.h @@ -0,0 +1,27 @@ + +/* Range object interface */ + +#ifndef Py_RANGEOBJECT_H +#define Py_RANGEOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +/* +A range object represents an integer range. This is an immutable object; +a range cannot change its value after creation. + +Range objects behave like the corresponding tuple objects except that +they are represented by a start, stop, and step datamembers. +*/ + +PyAPI_DATA(PyTypeObject) PyRange_Type; +PyAPI_DATA(PyTypeObject) PyRangeIter_Type; +PyAPI_DATA(PyTypeObject) PyLongRangeIter_Type; + +#define PyRange_Check(op) (Py_TYPE(op) == &PyRange_Type) + +#ifdef __cplusplus +} +#endif +#endif /* !Py_RANGEOBJECT_H */ diff --git a/python-headers-win/Include/setobject.h b/python-headers-win/Include/setobject.h new file mode 100644 index 000000000..fc0ea8392 --- /dev/null +++ b/python-headers-win/Include/setobject.h @@ -0,0 +1,108 @@ +/* Set object interface */ + +#ifndef Py_SETOBJECT_H +#define Py_SETOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API + +/* There are three kinds of entries in the table: + +1. Unused: key == NULL and hash == 0 +2. Dummy: key == dummy and hash == -1 +3. Active: key != NULL and key != dummy and hash != -1 + +The hash field of Unused slots is always zero. + +The hash field of Dummy slots are set to -1 +meaning that dummy entries can be detected by +either entry->key==dummy or by entry->hash==-1. +*/ + +#define PySet_MINSIZE 8 + +typedef struct { + PyObject *key; + Py_hash_t hash; /* Cached hash code of the key */ +} setentry; + +/* The SetObject data structure is shared by set and frozenset objects. + +Invariant for sets: + - hash is -1 + +Invariants for frozensets: + - data is immutable. + - hash is the hash of the frozenset or -1 if not computed yet. + +*/ + +typedef struct { + PyObject_HEAD + + Py_ssize_t fill; /* Number active and dummy entries*/ + Py_ssize_t used; /* Number active entries */ + + /* The table contains mask + 1 slots, and that's a power of 2. + * We store the mask instead of the size because the mask is more + * frequently needed. + */ + Py_ssize_t mask; + + /* The table points to a fixed-size smalltable for small tables + * or to additional malloc'ed memory for bigger tables. + * The table pointer is never NULL which saves us from repeated + * runtime null-tests. + */ + setentry *table; + Py_hash_t hash; /* Only used by frozenset objects */ + Py_ssize_t finger; /* Search finger for pop() */ + + setentry smalltable[PySet_MINSIZE]; + PyObject *weakreflist; /* List of weak references */ +} PySetObject; + +#define PySet_GET_SIZE(so) (assert(PyAnySet_Check(so)),(((PySetObject *)(so))->used)) + +PyAPI_DATA(PyObject *) _PySet_Dummy; + +PyAPI_FUNC(int) _PySet_NextEntry(PyObject *set, Py_ssize_t *pos, PyObject **key, Py_hash_t *hash); +PyAPI_FUNC(int) _PySet_Update(PyObject *set, PyObject *iterable); +PyAPI_FUNC(int) PySet_ClearFreeList(void); + +#endif /* Section excluded by Py_LIMITED_API */ + +PyAPI_DATA(PyTypeObject) PySet_Type; +PyAPI_DATA(PyTypeObject) PyFrozenSet_Type; +PyAPI_DATA(PyTypeObject) PySetIter_Type; + +PyAPI_FUNC(PyObject *) PySet_New(PyObject *); +PyAPI_FUNC(PyObject *) PyFrozenSet_New(PyObject *); + +PyAPI_FUNC(int) PySet_Add(PyObject *set, PyObject *key); +PyAPI_FUNC(int) PySet_Clear(PyObject *set); +PyAPI_FUNC(int) PySet_Contains(PyObject *anyset, PyObject *key); +PyAPI_FUNC(int) PySet_Discard(PyObject *set, PyObject *key); +PyAPI_FUNC(PyObject *) PySet_Pop(PyObject *set); +PyAPI_FUNC(Py_ssize_t) PySet_Size(PyObject *anyset); + +#define PyFrozenSet_CheckExact(ob) (Py_TYPE(ob) == &PyFrozenSet_Type) +#define PyAnySet_CheckExact(ob) \ + (Py_TYPE(ob) == &PySet_Type || Py_TYPE(ob) == &PyFrozenSet_Type) +#define PyAnySet_Check(ob) \ + (Py_TYPE(ob) == &PySet_Type || Py_TYPE(ob) == &PyFrozenSet_Type || \ + PyType_IsSubtype(Py_TYPE(ob), &PySet_Type) || \ + PyType_IsSubtype(Py_TYPE(ob), &PyFrozenSet_Type)) +#define PySet_Check(ob) \ + (Py_TYPE(ob) == &PySet_Type || \ + PyType_IsSubtype(Py_TYPE(ob), &PySet_Type)) +#define PyFrozenSet_Check(ob) \ + (Py_TYPE(ob) == &PyFrozenSet_Type || \ + PyType_IsSubtype(Py_TYPE(ob), &PyFrozenSet_Type)) + +#ifdef __cplusplus +} +#endif +#endif /* !Py_SETOBJECT_H */ diff --git a/python-headers-win/Include/sliceobject.h b/python-headers-win/Include/sliceobject.h new file mode 100644 index 000000000..aae6f3cc7 --- /dev/null +++ b/python-headers-win/Include/sliceobject.h @@ -0,0 +1,65 @@ +#ifndef Py_SLICEOBJECT_H +#define Py_SLICEOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +/* The unique ellipsis object "..." */ + +PyAPI_DATA(PyObject) _Py_EllipsisObject; /* Don't use this directly */ + +#define Py_Ellipsis (&_Py_EllipsisObject) + +/* Slice object interface */ + +/* + +A slice object containing start, stop, and step data members (the +names are from range). After much talk with Guido, it was decided to +let these be any arbitrary python type. Py_None stands for omitted values. +*/ +#ifndef Py_LIMITED_API +typedef struct { + PyObject_HEAD + PyObject *start, *stop, *step; /* not NULL */ +} PySliceObject; +#endif + +PyAPI_DATA(PyTypeObject) PySlice_Type; +PyAPI_DATA(PyTypeObject) PyEllipsis_Type; + +#define PySlice_Check(op) (Py_TYPE(op) == &PySlice_Type) + +PyAPI_FUNC(PyObject *) PySlice_New(PyObject* start, PyObject* stop, + PyObject* step); +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject *) _PySlice_FromIndices(Py_ssize_t start, Py_ssize_t stop); +PyAPI_FUNC(int) _PySlice_GetLongIndices(PySliceObject *self, PyObject *length, + PyObject **start_ptr, PyObject **stop_ptr, + PyObject **step_ptr); +#endif +PyAPI_FUNC(int) PySlice_GetIndices(PyObject *r, Py_ssize_t length, + Py_ssize_t *start, Py_ssize_t *stop, Py_ssize_t *step); +Py_DEPRECATED(3.7) +PyAPI_FUNC(int) PySlice_GetIndicesEx(PyObject *r, Py_ssize_t length, + Py_ssize_t *start, Py_ssize_t *stop, + Py_ssize_t *step, + Py_ssize_t *slicelength); + +#if !defined(Py_LIMITED_API) || (Py_LIMITED_API+0 >= 0x03050400 && Py_LIMITED_API+0 < 0x03060000) || Py_LIMITED_API+0 >= 0x03060100 +#define PySlice_GetIndicesEx(slice, length, start, stop, step, slicelen) ( \ + PySlice_Unpack((slice), (start), (stop), (step)) < 0 ? \ + ((*(slicelen) = 0), -1) : \ + ((*(slicelen) = PySlice_AdjustIndices((length), (start), (stop), *(step))), \ + 0)) +PyAPI_FUNC(int) PySlice_Unpack(PyObject *slice, + Py_ssize_t *start, Py_ssize_t *stop, Py_ssize_t *step); +PyAPI_FUNC(Py_ssize_t) PySlice_AdjustIndices(Py_ssize_t length, + Py_ssize_t *start, Py_ssize_t *stop, + Py_ssize_t step); +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_SLICEOBJECT_H */ diff --git a/python-headers-win/Include/structmember.h b/python-headers-win/Include/structmember.h new file mode 100644 index 000000000..b54f7081f --- /dev/null +++ b/python-headers-win/Include/structmember.h @@ -0,0 +1,74 @@ +#ifndef Py_STRUCTMEMBER_H +#define Py_STRUCTMEMBER_H +#ifdef __cplusplus +extern "C" { +#endif + + +/* Interface to map C struct members to Python object attributes */ + +#include /* For offsetof */ + +/* An array of PyMemberDef structures defines the name, type and offset + of selected members of a C structure. These can be read by + PyMember_GetOne() and set by PyMember_SetOne() (except if their READONLY + flag is set). The array must be terminated with an entry whose name + pointer is NULL. */ + +typedef struct PyMemberDef { + const char *name; + int type; + Py_ssize_t offset; + int flags; + const char *doc; +} PyMemberDef; + +/* Types */ +#define T_SHORT 0 +#define T_INT 1 +#define T_LONG 2 +#define T_FLOAT 3 +#define T_DOUBLE 4 +#define T_STRING 5 +#define T_OBJECT 6 +/* XXX the ordering here is weird for binary compatibility */ +#define T_CHAR 7 /* 1-character string */ +#define T_BYTE 8 /* 8-bit signed int */ +/* unsigned variants: */ +#define T_UBYTE 9 +#define T_USHORT 10 +#define T_UINT 11 +#define T_ULONG 12 + +/* Added by Jack: strings contained in the structure */ +#define T_STRING_INPLACE 13 + +/* Added by Lillo: bools contained in the structure (assumed char) */ +#define T_BOOL 14 + +#define T_OBJECT_EX 16 /* Like T_OBJECT, but raises AttributeError + when the value is NULL, instead of + converting to None. */ +#define T_LONGLONG 17 +#define T_ULONGLONG 18 + +#define T_PYSSIZET 19 /* Py_ssize_t */ +#define T_NONE 20 /* Value is always None */ + + +/* Flags */ +#define READONLY 1 +#define READ_RESTRICTED 2 +#define PY_WRITE_RESTRICTED 4 +#define RESTRICTED (READ_RESTRICTED | PY_WRITE_RESTRICTED) + + +/* Current API, use this */ +PyAPI_FUNC(PyObject *) PyMember_GetOne(const char *, struct PyMemberDef *); +PyAPI_FUNC(int) PyMember_SetOne(char *, struct PyMemberDef *, PyObject *); + + +#ifdef __cplusplus +} +#endif +#endif /* !Py_STRUCTMEMBER_H */ diff --git a/python-headers-win/Include/structseq.h b/python-headers-win/Include/structseq.h new file mode 100644 index 000000000..e5e5d5c57 --- /dev/null +++ b/python-headers-win/Include/structseq.h @@ -0,0 +1,49 @@ + +/* Named tuple object interface */ + +#ifndef Py_STRUCTSEQ_H +#define Py_STRUCTSEQ_H +#ifdef __cplusplus +extern "C" { +#endif + +typedef struct PyStructSequence_Field { + const char *name; + const char *doc; +} PyStructSequence_Field; + +typedef struct PyStructSequence_Desc { + const char *name; + const char *doc; + struct PyStructSequence_Field *fields; + int n_in_sequence; +} PyStructSequence_Desc; + +extern char* PyStructSequence_UnnamedField; + +#ifndef Py_LIMITED_API +PyAPI_FUNC(void) PyStructSequence_InitType(PyTypeObject *type, + PyStructSequence_Desc *desc); +PyAPI_FUNC(int) PyStructSequence_InitType2(PyTypeObject *type, + PyStructSequence_Desc *desc); +#endif +PyAPI_FUNC(PyTypeObject*) PyStructSequence_NewType(PyStructSequence_Desc *desc); + +PyAPI_FUNC(PyObject *) PyStructSequence_New(PyTypeObject* type); + +#ifndef Py_LIMITED_API +typedef PyTupleObject PyStructSequence; + +/* Macro, *only* to be used to fill in brand new objects */ +#define PyStructSequence_SET_ITEM(op, i, v) PyTuple_SET_ITEM(op, i, v) + +#define PyStructSequence_GET_ITEM(op, i) PyTuple_GET_ITEM(op, i) +#endif + +PyAPI_FUNC(void) PyStructSequence_SetItem(PyObject*, Py_ssize_t, PyObject*); +PyAPI_FUNC(PyObject*) PyStructSequence_GetItem(PyObject*, Py_ssize_t); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_STRUCTSEQ_H */ diff --git a/python-headers-win/Include/symtable.h b/python-headers-win/Include/symtable.h new file mode 100644 index 000000000..5dcfa7e2c --- /dev/null +++ b/python-headers-win/Include/symtable.h @@ -0,0 +1,123 @@ +#ifndef Py_LIMITED_API +#ifndef Py_SYMTABLE_H +#define Py_SYMTABLE_H +#ifdef __cplusplus +extern "C" { +#endif + +#include "Python-ast.h" /* mod_ty */ + +/* XXX(ncoghlan): This is a weird mix of public names and interpreter internal + * names. + */ + +typedef enum _block_type { FunctionBlock, ClassBlock, ModuleBlock } + _Py_block_ty; + +struct _symtable_entry; + +struct symtable { + PyObject *st_filename; /* name of file being compiled, + decoded from the filesystem encoding */ + struct _symtable_entry *st_cur; /* current symbol table entry */ + struct _symtable_entry *st_top; /* symbol table entry for module */ + PyObject *st_blocks; /* dict: map AST node addresses + * to symbol table entries */ + PyObject *st_stack; /* list: stack of namespace info */ + PyObject *st_global; /* borrowed ref to st_top->ste_symbols */ + int st_nblocks; /* number of blocks used. kept for + consistency with the corresponding + compiler structure */ + PyObject *st_private; /* name of current class or NULL */ + PyFutureFeatures *st_future; /* module's future features that affect + the symbol table */ + int recursion_depth; /* current recursion depth */ + int recursion_limit; /* recursion limit */ +}; + +typedef struct _symtable_entry { + PyObject_HEAD + PyObject *ste_id; /* int: key in ste_table->st_blocks */ + PyObject *ste_symbols; /* dict: variable names to flags */ + PyObject *ste_name; /* string: name of current block */ + PyObject *ste_varnames; /* list of function parameters */ + PyObject *ste_children; /* list of child blocks */ + PyObject *ste_directives;/* locations of global and nonlocal statements */ + _Py_block_ty ste_type; /* module, class, or function */ + int ste_nested; /* true if block is nested */ + unsigned ste_free : 1; /* true if block has free variables */ + unsigned ste_child_free : 1; /* true if a child block has free vars, + including free refs to globals */ + unsigned ste_generator : 1; /* true if namespace is a generator */ + unsigned ste_coroutine : 1; /* true if namespace is a coroutine */ + unsigned ste_comprehension : 1; /* true if namespace is a list comprehension */ + unsigned ste_varargs : 1; /* true if block has varargs */ + unsigned ste_varkeywords : 1; /* true if block has varkeywords */ + unsigned ste_returns_value : 1; /* true if namespace uses return with + an argument */ + unsigned ste_needs_class_closure : 1; /* for class scopes, true if a + closure over __class__ + should be created */ + unsigned ste_comp_iter_target : 1; /* true if visiting comprehension target */ + int ste_comp_iter_expr; /* non-zero if visiting a comprehension range expression */ + int ste_lineno; /* first line of block */ + int ste_col_offset; /* offset of first line of block */ + int ste_opt_lineno; /* lineno of last exec or import * */ + int ste_opt_col_offset; /* offset of last exec or import * */ + struct symtable *ste_table; +} PySTEntryObject; + +PyAPI_DATA(PyTypeObject) PySTEntry_Type; + +#define PySTEntry_Check(op) (Py_TYPE(op) == &PySTEntry_Type) + +PyAPI_FUNC(int) PyST_GetScope(PySTEntryObject *, PyObject *); + +PyAPI_FUNC(struct symtable *) PySymtable_Build( + mod_ty mod, + const char *filename, /* decoded from the filesystem encoding */ + PyFutureFeatures *future); +PyAPI_FUNC(struct symtable *) PySymtable_BuildObject( + mod_ty mod, + PyObject *filename, + PyFutureFeatures *future); +PyAPI_FUNC(PySTEntryObject *) PySymtable_Lookup(struct symtable *, void *); + +PyAPI_FUNC(void) PySymtable_Free(struct symtable *); + +/* Flags for def-use information */ + +#define DEF_GLOBAL 1 /* global stmt */ +#define DEF_LOCAL 2 /* assignment in code block */ +#define DEF_PARAM 2<<1 /* formal parameter */ +#define DEF_NONLOCAL 2<<2 /* nonlocal stmt */ +#define USE 2<<3 /* name is used */ +#define DEF_FREE 2<<4 /* name used but not defined in nested block */ +#define DEF_FREE_CLASS 2<<5 /* free variable from class's method */ +#define DEF_IMPORT 2<<6 /* assignment occurred via import */ +#define DEF_ANNOT 2<<7 /* this name is annotated */ +#define DEF_COMP_ITER 2<<8 /* this name is a comprehension iteration variable */ + +#define DEF_BOUND (DEF_LOCAL | DEF_PARAM | DEF_IMPORT) + +/* GLOBAL_EXPLICIT and GLOBAL_IMPLICIT are used internally by the symbol + table. GLOBAL is returned from PyST_GetScope() for either of them. + It is stored in ste_symbols at bits 12-15. +*/ +#define SCOPE_OFFSET 11 +#define SCOPE_MASK (DEF_GLOBAL | DEF_LOCAL | DEF_PARAM | DEF_NONLOCAL) + +#define LOCAL 1 +#define GLOBAL_EXPLICIT 2 +#define GLOBAL_IMPLICIT 3 +#define FREE 4 +#define CELL 5 + +#define GENERATOR 1 +#define GENERATOR_EXPRESSION 2 + +#ifdef __cplusplus +} +#endif +#endif /* !Py_SYMTABLE_H */ +#endif /* !Py_LIMITED_API */ diff --git a/python-headers-win/Include/sysmodule.h b/python-headers-win/Include/sysmodule.h new file mode 100644 index 000000000..670e5d283 --- /dev/null +++ b/python-headers-win/Include/sysmodule.h @@ -0,0 +1,41 @@ + +/* System module interface */ + +#ifndef Py_SYSMODULE_H +#define Py_SYSMODULE_H +#ifdef __cplusplus +extern "C" { +#endif + +PyAPI_FUNC(PyObject *) PySys_GetObject(const char *); +PyAPI_FUNC(int) PySys_SetObject(const char *, PyObject *); + +PyAPI_FUNC(void) PySys_SetArgv(int, wchar_t **); +PyAPI_FUNC(void) PySys_SetArgvEx(int, wchar_t **, int); +PyAPI_FUNC(void) PySys_SetPath(const wchar_t *); + +PyAPI_FUNC(void) PySys_WriteStdout(const char *format, ...) + Py_GCC_ATTRIBUTE((format(printf, 1, 2))); +PyAPI_FUNC(void) PySys_WriteStderr(const char *format, ...) + Py_GCC_ATTRIBUTE((format(printf, 1, 2))); +PyAPI_FUNC(void) PySys_FormatStdout(const char *format, ...); +PyAPI_FUNC(void) PySys_FormatStderr(const char *format, ...); + +PyAPI_FUNC(void) PySys_ResetWarnOptions(void); +PyAPI_FUNC(void) PySys_AddWarnOption(const wchar_t *); +PyAPI_FUNC(void) PySys_AddWarnOptionUnicode(PyObject *); +PyAPI_FUNC(int) PySys_HasWarnOptions(void); + +PyAPI_FUNC(void) PySys_AddXOption(const wchar_t *); +PyAPI_FUNC(PyObject *) PySys_GetXOptions(void); + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_SYSMODULE_H +# include "cpython/sysmodule.h" +# undef Py_CPYTHON_SYSMODULE_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_SYSMODULE_H */ diff --git a/python-headers-win/Include/token.h b/python-headers-win/Include/token.h new file mode 100644 index 000000000..e08708baf --- /dev/null +++ b/python-headers-win/Include/token.h @@ -0,0 +1,92 @@ +/* Auto-generated by Tools/scripts/generate_token.py */ + +/* Token types */ +#ifndef Py_LIMITED_API +#ifndef Py_TOKEN_H +#define Py_TOKEN_H +#ifdef __cplusplus +extern "C" { +#endif + +#undef TILDE /* Prevent clash of our definition with system macro. Ex AIX, ioctl.h */ + +#define ENDMARKER 0 +#define NAME 1 +#define NUMBER 2 +#define STRING 3 +#define NEWLINE 4 +#define INDENT 5 +#define DEDENT 6 +#define LPAR 7 +#define RPAR 8 +#define LSQB 9 +#define RSQB 10 +#define COLON 11 +#define COMMA 12 +#define SEMI 13 +#define PLUS 14 +#define MINUS 15 +#define STAR 16 +#define SLASH 17 +#define VBAR 18 +#define AMPER 19 +#define LESS 20 +#define GREATER 21 +#define EQUAL 22 +#define DOT 23 +#define PERCENT 24 +#define LBRACE 25 +#define RBRACE 26 +#define EQEQUAL 27 +#define NOTEQUAL 28 +#define LESSEQUAL 29 +#define GREATEREQUAL 30 +#define TILDE 31 +#define CIRCUMFLEX 32 +#define LEFTSHIFT 33 +#define RIGHTSHIFT 34 +#define DOUBLESTAR 35 +#define PLUSEQUAL 36 +#define MINEQUAL 37 +#define STAREQUAL 38 +#define SLASHEQUAL 39 +#define PERCENTEQUAL 40 +#define AMPEREQUAL 41 +#define VBAREQUAL 42 +#define CIRCUMFLEXEQUAL 43 +#define LEFTSHIFTEQUAL 44 +#define RIGHTSHIFTEQUAL 45 +#define DOUBLESTAREQUAL 46 +#define DOUBLESLASH 47 +#define DOUBLESLASHEQUAL 48 +#define AT 49 +#define ATEQUAL 50 +#define RARROW 51 +#define ELLIPSIS 52 +#define COLONEQUAL 53 +#define OP 54 +#define AWAIT 55 +#define ASYNC 56 +#define TYPE_IGNORE 57 +#define TYPE_COMMENT 58 +#define ERRORTOKEN 59 +#define N_TOKENS 63 +#define NT_OFFSET 256 + +/* Special definitions for cooperation with parser */ + +#define ISTERMINAL(x) ((x) < NT_OFFSET) +#define ISNONTERMINAL(x) ((x) >= NT_OFFSET) +#define ISEOF(x) ((x) == ENDMARKER) + + +PyAPI_DATA(const char * const) _PyParser_TokenNames[]; /* Token names */ +PyAPI_FUNC(int) PyToken_OneChar(int); +PyAPI_FUNC(int) PyToken_TwoChars(int, int); +PyAPI_FUNC(int) PyToken_ThreeChars(int, int, int); + +#ifdef __cplusplus +} +#endif +#endif /* !Py_TOKEN_H */ +#endif /* Py_LIMITED_API */ diff --git a/python-headers-win/Include/traceback.h b/python-headers-win/Include/traceback.h new file mode 100644 index 000000000..b451927fa --- /dev/null +++ b/python-headers-win/Include/traceback.h @@ -0,0 +1,28 @@ +#ifndef Py_TRACEBACK_H +#define Py_TRACEBACK_H +#ifdef __cplusplus +extern "C" { +#endif + +struct _frame; + +/* Traceback interface */ + +PyAPI_FUNC(int) PyTraceBack_Here(struct _frame *); +PyAPI_FUNC(int) PyTraceBack_Print(PyObject *, PyObject *); + +/* Reveal traceback type so we can typecheck traceback objects */ +PyAPI_DATA(PyTypeObject) PyTraceBack_Type; +#define PyTraceBack_Check(v) (Py_TYPE(v) == &PyTraceBack_Type) + + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_TRACEBACK_H +# include "cpython/traceback.h" +# undef Py_CPYTHON_TRACEBACK_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_TRACEBACK_H */ diff --git a/python-headers-win/Include/tracemalloc.h b/python-headers-win/Include/tracemalloc.h new file mode 100644 index 000000000..bd14217c1 --- /dev/null +++ b/python-headers-win/Include/tracemalloc.h @@ -0,0 +1,38 @@ +#ifndef Py_TRACEMALLOC_H +#define Py_TRACEMALLOC_H + +#ifndef Py_LIMITED_API +/* Track an allocated memory block in the tracemalloc module. + Return 0 on success, return -1 on error (failed to allocate memory to store + the trace). + + Return -2 if tracemalloc is disabled. + + If memory block is already tracked, update the existing trace. */ +PyAPI_FUNC(int) PyTraceMalloc_Track( + unsigned int domain, + uintptr_t ptr, + size_t size); + +/* Untrack an allocated memory block in the tracemalloc module. + Do nothing if the block was not tracked. + + Return -2 if tracemalloc is disabled, otherwise return 0. */ +PyAPI_FUNC(int) PyTraceMalloc_Untrack( + unsigned int domain, + uintptr_t ptr); + +/* Get the traceback where a memory block was allocated. + + Return a tuple of (filename: str, lineno: int) tuples. + + Return None if the tracemalloc module is disabled or if the memory block + is not tracked by tracemalloc. + + Raise an exception and return NULL on error. */ +PyAPI_FUNC(PyObject*) _PyTraceMalloc_GetTraceback( + unsigned int domain, + uintptr_t ptr); +#endif + +#endif /* !Py_TRACEMALLOC_H */ diff --git a/python-headers-win/Include/tupleobject.h b/python-headers-win/Include/tupleobject.h new file mode 100644 index 000000000..590902de9 --- /dev/null +++ b/python-headers-win/Include/tupleobject.h @@ -0,0 +1,48 @@ +/* Tuple object interface */ + +#ifndef Py_TUPLEOBJECT_H +#define Py_TUPLEOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + +/* +Another generally useful object type is a tuple of object pointers. +For Python, this is an immutable type. C code can change the tuple items +(but not their number), and even use tuples as general-purpose arrays of +object references, but in general only brand new tuples should be mutated, +not ones that might already have been exposed to Python code. + +*** WARNING *** PyTuple_SetItem does not increment the new item's reference +count, but does decrement the reference count of the item it replaces, +if not nil. It does *decrement* the reference count if it is *not* +inserted in the tuple. Similarly, PyTuple_GetItem does not increment the +returned item's reference count. +*/ + +PyAPI_DATA(PyTypeObject) PyTuple_Type; +PyAPI_DATA(PyTypeObject) PyTupleIter_Type; + +#define PyTuple_Check(op) \ + PyType_FastSubclass(Py_TYPE(op), Py_TPFLAGS_TUPLE_SUBCLASS) +#define PyTuple_CheckExact(op) (Py_TYPE(op) == &PyTuple_Type) + +PyAPI_FUNC(PyObject *) PyTuple_New(Py_ssize_t size); +PyAPI_FUNC(Py_ssize_t) PyTuple_Size(PyObject *); +PyAPI_FUNC(PyObject *) PyTuple_GetItem(PyObject *, Py_ssize_t); +PyAPI_FUNC(int) PyTuple_SetItem(PyObject *, Py_ssize_t, PyObject *); +PyAPI_FUNC(PyObject *) PyTuple_GetSlice(PyObject *, Py_ssize_t, Py_ssize_t); +PyAPI_FUNC(PyObject *) PyTuple_Pack(Py_ssize_t, ...); + +PyAPI_FUNC(int) PyTuple_ClearFreeList(void); + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_TUPLEOBJECT_H +# include "cpython/tupleobject.h" +# undef Py_CPYTHON_TUPLEOBJECT_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_TUPLEOBJECT_H */ diff --git a/python-headers-win/Include/typeslots.h b/python-headers-win/Include/typeslots.h new file mode 100644 index 000000000..0ce6a377d --- /dev/null +++ b/python-headers-win/Include/typeslots.h @@ -0,0 +1,85 @@ +/* Do not renumber the file; these numbers are part of the stable ABI. */ +/* Disabled, see #10181 */ +#undef Py_bf_getbuffer +#undef Py_bf_releasebuffer +#define Py_mp_ass_subscript 3 +#define Py_mp_length 4 +#define Py_mp_subscript 5 +#define Py_nb_absolute 6 +#define Py_nb_add 7 +#define Py_nb_and 8 +#define Py_nb_bool 9 +#define Py_nb_divmod 10 +#define Py_nb_float 11 +#define Py_nb_floor_divide 12 +#define Py_nb_index 13 +#define Py_nb_inplace_add 14 +#define Py_nb_inplace_and 15 +#define Py_nb_inplace_floor_divide 16 +#define Py_nb_inplace_lshift 17 +#define Py_nb_inplace_multiply 18 +#define Py_nb_inplace_or 19 +#define Py_nb_inplace_power 20 +#define Py_nb_inplace_remainder 21 +#define Py_nb_inplace_rshift 22 +#define Py_nb_inplace_subtract 23 +#define Py_nb_inplace_true_divide 24 +#define Py_nb_inplace_xor 25 +#define Py_nb_int 26 +#define Py_nb_invert 27 +#define Py_nb_lshift 28 +#define Py_nb_multiply 29 +#define Py_nb_negative 30 +#define Py_nb_or 31 +#define Py_nb_positive 32 +#define Py_nb_power 33 +#define Py_nb_remainder 34 +#define Py_nb_rshift 35 +#define Py_nb_subtract 36 +#define Py_nb_true_divide 37 +#define Py_nb_xor 38 +#define Py_sq_ass_item 39 +#define Py_sq_concat 40 +#define Py_sq_contains 41 +#define Py_sq_inplace_concat 42 +#define Py_sq_inplace_repeat 43 +#define Py_sq_item 44 +#define Py_sq_length 45 +#define Py_sq_repeat 46 +#define Py_tp_alloc 47 +#define Py_tp_base 48 +#define Py_tp_bases 49 +#define Py_tp_call 50 +#define Py_tp_clear 51 +#define Py_tp_dealloc 52 +#define Py_tp_del 53 +#define Py_tp_descr_get 54 +#define Py_tp_descr_set 55 +#define Py_tp_doc 56 +#define Py_tp_getattr 57 +#define Py_tp_getattro 58 +#define Py_tp_hash 59 +#define Py_tp_init 60 +#define Py_tp_is_gc 61 +#define Py_tp_iter 62 +#define Py_tp_iternext 63 +#define Py_tp_methods 64 +#define Py_tp_new 65 +#define Py_tp_repr 66 +#define Py_tp_richcompare 67 +#define Py_tp_setattr 68 +#define Py_tp_setattro 69 +#define Py_tp_str 70 +#define Py_tp_traverse 71 +#define Py_tp_members 72 +#define Py_tp_getset 73 +#define Py_tp_free 74 +#define Py_nb_matrix_multiply 75 +#define Py_nb_inplace_matrix_multiply 76 +#define Py_am_await 77 +#define Py_am_aiter 78 +#define Py_am_anext 79 +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03050000 +/* New in 3.5 */ +#define Py_tp_finalize 80 +#endif diff --git a/python-headers-win/Include/ucnhash.h b/python-headers-win/Include/ucnhash.h new file mode 100644 index 000000000..45362e997 --- /dev/null +++ b/python-headers-win/Include/ucnhash.h @@ -0,0 +1,36 @@ +/* Unicode name database interface */ +#ifndef Py_LIMITED_API +#ifndef Py_UCNHASH_H +#define Py_UCNHASH_H +#ifdef __cplusplus +extern "C" { +#endif + +/* revised ucnhash CAPI interface (exported through a "wrapper") */ + +#define PyUnicodeData_CAPSULE_NAME "unicodedata.ucnhash_CAPI" + +typedef struct { + + /* Size of this struct */ + int size; + + /* Get name for a given character code. Returns non-zero if + success, zero if not. Does not set Python exceptions. + If self is NULL, data come from the default version of the database. + If it is not NULL, it should be a unicodedata.ucd_X_Y_Z object */ + int (*getname)(PyObject *self, Py_UCS4 code, char* buffer, int buflen, + int with_alias_and_seq); + + /* Get character code for a given name. Same error handling + as for getname. */ + int (*getcode)(PyObject *self, const char* name, int namelen, Py_UCS4* code, + int with_named_seq); + +} _PyUnicode_Name_CAPI; + +#ifdef __cplusplus +} +#endif +#endif /* !Py_UCNHASH_H */ +#endif /* !Py_LIMITED_API */ diff --git a/python-headers-win/Include/unicodeobject.h b/python-headers-win/Include/unicodeobject.h new file mode 100644 index 000000000..97d8cd12f --- /dev/null +++ b/python-headers-win/Include/unicodeobject.h @@ -0,0 +1,1044 @@ +#ifndef Py_UNICODEOBJECT_H +#define Py_UNICODEOBJECT_H + +#include + +/* + +Unicode implementation based on original code by Fredrik Lundh, +modified by Marc-Andre Lemburg (mal@lemburg.com) according to the +Unicode Integration Proposal. (See +http://www.egenix.com/files/python/unicode-proposal.txt). + +Copyright (c) Corporation for National Research Initiatives. + + + Original header: + -------------------------------------------------------------------- + + * Yet another Unicode string type for Python. This type supports the + * 16-bit Basic Multilingual Plane (BMP) only. + * + * Written by Fredrik Lundh, January 1999. + * + * Copyright (c) 1999 by Secret Labs AB. + * Copyright (c) 1999 by Fredrik Lundh. + * + * fredrik@pythonware.com + * http://www.pythonware.com + * + * -------------------------------------------------------------------- + * This Unicode String Type is + * + * Copyright (c) 1999 by Secret Labs AB + * Copyright (c) 1999 by Fredrik Lundh + * + * By obtaining, using, and/or copying this software and/or its + * associated documentation, you agree that you have read, understood, + * and will comply with the following terms and conditions: + * + * Permission to use, copy, modify, and distribute this software and its + * associated documentation for any purpose and without fee is hereby + * granted, provided that the above copyright notice appears in all + * copies, and that both that copyright notice and this permission notice + * appear in supporting documentation, and that the name of Secret Labs + * AB or the author not be used in advertising or publicity pertaining to + * distribution of the software without specific, written prior + * permission. + * + * SECRET LABS AB AND THE AUTHOR DISCLAIMS ALL WARRANTIES WITH REGARD TO + * THIS SOFTWARE, INCLUDING ALL IMPLIED WARRANTIES OF MERCHANTABILITY AND + * FITNESS. IN NO EVENT SHALL SECRET LABS AB OR THE AUTHOR BE LIABLE FOR + * ANY SPECIAL, INDIRECT OR CONSEQUENTIAL DAMAGES OR ANY DAMAGES + * WHATSOEVER RESULTING FROM LOSS OF USE, DATA OR PROFITS, WHETHER IN AN + * ACTION OF CONTRACT, NEGLIGENCE OR OTHER TORTIOUS ACTION, ARISING OUT + * OF OR IN CONNECTION WITH THE USE OR PERFORMANCE OF THIS SOFTWARE. + * -------------------------------------------------------------------- */ + +#include + +/* === Internal API ======================================================= */ + +/* --- Internal Unicode Format -------------------------------------------- */ + +/* Python 3.x requires unicode */ +#define Py_USING_UNICODE + +#ifndef SIZEOF_WCHAR_T +#error Must define SIZEOF_WCHAR_T +#endif + +#define Py_UNICODE_SIZE SIZEOF_WCHAR_T + +/* If wchar_t can be used for UCS-4 storage, set Py_UNICODE_WIDE. + Otherwise, Unicode strings are stored as UCS-2 (with limited support + for UTF-16) */ + +#if Py_UNICODE_SIZE >= 4 +#define Py_UNICODE_WIDE +#endif + +/* Set these flags if the platform has "wchar.h" and the + wchar_t type is a 16-bit unsigned type */ +/* #define HAVE_WCHAR_H */ +/* #define HAVE_USABLE_WCHAR_T */ + +/* If the compiler provides a wchar_t type we try to support it + through the interface functions PyUnicode_FromWideChar(), + PyUnicode_AsWideChar() and PyUnicode_AsWideCharString(). */ + +#ifdef HAVE_USABLE_WCHAR_T +# ifndef HAVE_WCHAR_H +# define HAVE_WCHAR_H +# endif +#endif + +#ifdef HAVE_WCHAR_H +# include +#endif + +/* Py_UCS4 and Py_UCS2 are typedefs for the respective + unicode representations. */ +typedef uint32_t Py_UCS4; +typedef uint16_t Py_UCS2; +typedef uint8_t Py_UCS1; + +#ifdef __cplusplus +extern "C" { +#endif + + +PyAPI_DATA(PyTypeObject) PyUnicode_Type; +PyAPI_DATA(PyTypeObject) PyUnicodeIter_Type; + +#define PyUnicode_Check(op) \ + PyType_FastSubclass(Py_TYPE(op), Py_TPFLAGS_UNICODE_SUBCLASS) +#define PyUnicode_CheckExact(op) (Py_TYPE(op) == &PyUnicode_Type) + +/* --- Constants ---------------------------------------------------------- */ + +/* This Unicode character will be used as replacement character during + decoding if the errors argument is set to "replace". Note: the + Unicode character U+FFFD is the official REPLACEMENT CHARACTER in + Unicode 3.0. */ + +#define Py_UNICODE_REPLACEMENT_CHARACTER ((Py_UCS4) 0xFFFD) + +/* === Public API ========================================================= */ + +/* Similar to PyUnicode_FromUnicode(), but u points to UTF-8 encoded bytes */ +PyAPI_FUNC(PyObject*) PyUnicode_FromStringAndSize( + const char *u, /* UTF-8 encoded string */ + Py_ssize_t size /* size of buffer */ + ); + +/* Similar to PyUnicode_FromUnicode(), but u points to null-terminated + UTF-8 encoded bytes. The size is determined with strlen(). */ +PyAPI_FUNC(PyObject*) PyUnicode_FromString( + const char *u /* UTF-8 encoded string */ + ); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject*) PyUnicode_Substring( + PyObject *str, + Py_ssize_t start, + Py_ssize_t end); +#endif + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +/* Copy the string into a UCS4 buffer including the null character if copy_null + is set. Return NULL and raise an exception on error. Raise a SystemError if + the buffer is smaller than the string. Return buffer on success. + + buflen is the length of the buffer in (Py_UCS4) characters. */ +PyAPI_FUNC(Py_UCS4*) PyUnicode_AsUCS4( + PyObject *unicode, + Py_UCS4* buffer, + Py_ssize_t buflen, + int copy_null); + +/* Copy the string into a UCS4 buffer. A new buffer is allocated using + * PyMem_Malloc; if this fails, NULL is returned with a memory error + exception set. */ +PyAPI_FUNC(Py_UCS4*) PyUnicode_AsUCS4Copy(PyObject *unicode); +#endif + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +/* Get the length of the Unicode object. */ + +PyAPI_FUNC(Py_ssize_t) PyUnicode_GetLength( + PyObject *unicode +); +#endif + +/* Get the number of Py_UNICODE units in the + string representation. */ + +Py_DEPRECATED(3.3) PyAPI_FUNC(Py_ssize_t) PyUnicode_GetSize( + PyObject *unicode /* Unicode object */ + ); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +/* Read a character from the string. */ + +PyAPI_FUNC(Py_UCS4) PyUnicode_ReadChar( + PyObject *unicode, + Py_ssize_t index + ); + +/* Write a character to the string. The string must have been created through + PyUnicode_New, must not be shared, and must not have been hashed yet. + + Return 0 on success, -1 on error. */ + +PyAPI_FUNC(int) PyUnicode_WriteChar( + PyObject *unicode, + Py_ssize_t index, + Py_UCS4 character + ); +#endif + +/* Resize a Unicode object. The length is the number of characters, except + if the kind of the string is PyUnicode_WCHAR_KIND: in this case, the length + is the number of Py_UNICODE characters. + + *unicode is modified to point to the new (resized) object and 0 + returned on success. + + Try to resize the string in place (which is usually faster than allocating + a new string and copy characters), or create a new string. + + Error handling is implemented as follows: an exception is set, -1 + is returned and *unicode left untouched. + + WARNING: The function doesn't check string content, the result may not be a + string in canonical representation. */ + +PyAPI_FUNC(int) PyUnicode_Resize( + PyObject **unicode, /* Pointer to the Unicode object */ + Py_ssize_t length /* New length */ + ); + +/* Decode obj to a Unicode object. + + bytes, bytearray and other bytes-like objects are decoded according to the + given encoding and error handler. The encoding and error handler can be + NULL to have the interface use UTF-8 and "strict". + + All other objects (including Unicode objects) raise an exception. + + The API returns NULL in case of an error. The caller is responsible + for decref'ing the returned objects. + +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_FromEncodedObject( + PyObject *obj, /* Object */ + const char *encoding, /* encoding */ + const char *errors /* error handling */ + ); + +/* Copy an instance of a Unicode subtype to a new true Unicode object if + necessary. If obj is already a true Unicode object (not a subtype), return + the reference with *incremented* refcount. + + The API returns NULL in case of an error. The caller is responsible + for decref'ing the returned objects. + +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_FromObject( + PyObject *obj /* Object */ + ); + +PyAPI_FUNC(PyObject *) PyUnicode_FromFormatV( + const char *format, /* ASCII-encoded string */ + va_list vargs + ); +PyAPI_FUNC(PyObject *) PyUnicode_FromFormat( + const char *format, /* ASCII-encoded string */ + ... + ); + +PyAPI_FUNC(void) PyUnicode_InternInPlace(PyObject **); +PyAPI_FUNC(void) PyUnicode_InternImmortal(PyObject **); +PyAPI_FUNC(PyObject *) PyUnicode_InternFromString( + const char *u /* UTF-8 encoded string */ + ); + +/* Use only if you know it's a string */ +#define PyUnicode_CHECK_INTERNED(op) \ + (((PyASCIIObject *)(op))->state.interned) + +/* --- wchar_t support for platforms which support it --------------------- */ + +#ifdef HAVE_WCHAR_H + +/* Create a Unicode Object from the wchar_t buffer w of the given + size. + + The buffer is copied into the new object. */ + +PyAPI_FUNC(PyObject*) PyUnicode_FromWideChar( + const wchar_t *w, /* wchar_t buffer */ + Py_ssize_t size /* size of buffer */ + ); + +/* Copies the Unicode Object contents into the wchar_t buffer w. At + most size wchar_t characters are copied. + + Note that the resulting wchar_t string may or may not be + 0-terminated. It is the responsibility of the caller to make sure + that the wchar_t string is 0-terminated in case this is required by + the application. + + Returns the number of wchar_t characters copied (excluding a + possibly trailing 0-termination character) or -1 in case of an + error. */ + +PyAPI_FUNC(Py_ssize_t) PyUnicode_AsWideChar( + PyObject *unicode, /* Unicode object */ + wchar_t *w, /* wchar_t buffer */ + Py_ssize_t size /* size of buffer */ + ); + +/* Convert the Unicode object to a wide character string. The output string + always ends with a nul character. If size is not NULL, write the number of + wide characters (excluding the null character) into *size. + + Returns a buffer allocated by PyMem_Malloc() (use PyMem_Free() to free it) + on success. On error, returns NULL, *size is undefined and raises a + MemoryError. */ + +PyAPI_FUNC(wchar_t*) PyUnicode_AsWideCharString( + PyObject *unicode, /* Unicode object */ + Py_ssize_t *size /* number of characters of the result */ + ); + +#endif + +/* --- Unicode ordinals --------------------------------------------------- */ + +/* Create a Unicode Object from the given Unicode code point ordinal. + + The ordinal must be in range(0x110000). A ValueError is + raised in case it is not. + +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_FromOrdinal(int ordinal); + +/* --- Free-list management ----------------------------------------------- */ + +/* Clear the free list used by the Unicode implementation. + + This can be used to release memory used for objects on the free + list back to the Python memory allocator. + +*/ + +PyAPI_FUNC(int) PyUnicode_ClearFreeList(void); + +/* === Builtin Codecs ===================================================== + + Many of these APIs take two arguments encoding and errors. These + parameters encoding and errors have the same semantics as the ones + of the builtin str() API. + + Setting encoding to NULL causes the default encoding (UTF-8) to be used. + + Error handling is set by errors which may also be set to NULL + meaning to use the default handling defined for the codec. Default + error handling for all builtin codecs is "strict" (ValueErrors are + raised). + + The codecs all use a similar interface. Only deviation from the + generic ones are documented. + +*/ + +/* --- Manage the default encoding ---------------------------------------- */ + +/* Returns "utf-8". */ +PyAPI_FUNC(const char*) PyUnicode_GetDefaultEncoding(void); + +/* --- Generic Codecs ----------------------------------------------------- */ + +/* Create a Unicode object by decoding the encoded string s of the + given size. */ + +PyAPI_FUNC(PyObject*) PyUnicode_Decode( + const char *s, /* encoded string */ + Py_ssize_t size, /* size of buffer */ + const char *encoding, /* encoding */ + const char *errors /* error handling */ + ); + +/* Decode a Unicode object unicode and return the result as Python + object. + + This API is DEPRECATED. The only supported standard encoding is rot13. + Use PyCodec_Decode() to decode with rot13 and non-standard codecs + that decode from str. */ + +Py_DEPRECATED(3.6) PyAPI_FUNC(PyObject*) PyUnicode_AsDecodedObject( + PyObject *unicode, /* Unicode object */ + const char *encoding, /* encoding */ + const char *errors /* error handling */ + ); + +/* Decode a Unicode object unicode and return the result as Unicode + object. + + This API is DEPRECATED. The only supported standard encoding is rot13. + Use PyCodec_Decode() to decode with rot13 and non-standard codecs + that decode from str to str. */ + +Py_DEPRECATED(3.6) PyAPI_FUNC(PyObject*) PyUnicode_AsDecodedUnicode( + PyObject *unicode, /* Unicode object */ + const char *encoding, /* encoding */ + const char *errors /* error handling */ + ); + +/* Encodes a Unicode object and returns the result as Python + object. + + This API is DEPRECATED. It is superseded by PyUnicode_AsEncodedString() + since all standard encodings (except rot13) encode str to bytes. + Use PyCodec_Encode() for encoding with rot13 and non-standard codecs + that encode form str to non-bytes. */ + +Py_DEPRECATED(3.6) PyAPI_FUNC(PyObject*) PyUnicode_AsEncodedObject( + PyObject *unicode, /* Unicode object */ + const char *encoding, /* encoding */ + const char *errors /* error handling */ + ); + +/* Encodes a Unicode object and returns the result as Python string + object. */ + +PyAPI_FUNC(PyObject*) PyUnicode_AsEncodedString( + PyObject *unicode, /* Unicode object */ + const char *encoding, /* encoding */ + const char *errors /* error handling */ + ); + +/* Encodes a Unicode object and returns the result as Unicode + object. + + This API is DEPRECATED. The only supported standard encodings is rot13. + Use PyCodec_Encode() to encode with rot13 and non-standard codecs + that encode from str to str. */ + +Py_DEPRECATED(3.6) PyAPI_FUNC(PyObject*) PyUnicode_AsEncodedUnicode( + PyObject *unicode, /* Unicode object */ + const char *encoding, /* encoding */ + const char *errors /* error handling */ + ); + +/* Build an encoding map. */ + +PyAPI_FUNC(PyObject*) PyUnicode_BuildEncodingMap( + PyObject* string /* 256 character map */ + ); + +/* --- UTF-7 Codecs ------------------------------------------------------- */ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeUTF7( + const char *string, /* UTF-7 encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeUTF7Stateful( + const char *string, /* UTF-7 encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors, /* error handling */ + Py_ssize_t *consumed /* bytes consumed */ + ); + +/* --- UTF-8 Codecs ------------------------------------------------------- */ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeUTF8( + const char *string, /* UTF-8 encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeUTF8Stateful( + const char *string, /* UTF-8 encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors, /* error handling */ + Py_ssize_t *consumed /* bytes consumed */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_AsUTF8String( + PyObject *unicode /* Unicode object */ + ); + +/* --- UTF-32 Codecs ------------------------------------------------------ */ + +/* Decodes length bytes from a UTF-32 encoded buffer string and returns + the corresponding Unicode object. + + errors (if non-NULL) defines the error handling. It defaults + to "strict". + + If byteorder is non-NULL, the decoder starts decoding using the + given byte order: + + *byteorder == -1: little endian + *byteorder == 0: native order + *byteorder == 1: big endian + + In native mode, the first four bytes of the stream are checked for a + BOM mark. If found, the BOM mark is analysed, the byte order + adjusted and the BOM skipped. In the other modes, no BOM mark + interpretation is done. After completion, *byteorder is set to the + current byte order at the end of input data. + + If byteorder is NULL, the codec starts in native order mode. + +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeUTF32( + const char *string, /* UTF-32 encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors, /* error handling */ + int *byteorder /* pointer to byteorder to use + 0=native;-1=LE,1=BE; updated on + exit */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeUTF32Stateful( + const char *string, /* UTF-32 encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors, /* error handling */ + int *byteorder, /* pointer to byteorder to use + 0=native;-1=LE,1=BE; updated on + exit */ + Py_ssize_t *consumed /* bytes consumed */ + ); + +/* Returns a Python string using the UTF-32 encoding in native byte + order. The string always starts with a BOM mark. */ + +PyAPI_FUNC(PyObject*) PyUnicode_AsUTF32String( + PyObject *unicode /* Unicode object */ + ); + +/* Returns a Python string object holding the UTF-32 encoded value of + the Unicode data. + + If byteorder is not 0, output is written according to the following + byte order: + + byteorder == -1: little endian + byteorder == 0: native byte order (writes a BOM mark) + byteorder == 1: big endian + + If byteorder is 0, the output string will always start with the + Unicode BOM mark (U+FEFF). In the other two modes, no BOM mark is + prepended. + +*/ + +/* --- UTF-16 Codecs ------------------------------------------------------ */ + +/* Decodes length bytes from a UTF-16 encoded buffer string and returns + the corresponding Unicode object. + + errors (if non-NULL) defines the error handling. It defaults + to "strict". + + If byteorder is non-NULL, the decoder starts decoding using the + given byte order: + + *byteorder == -1: little endian + *byteorder == 0: native order + *byteorder == 1: big endian + + In native mode, the first two bytes of the stream are checked for a + BOM mark. If found, the BOM mark is analysed, the byte order + adjusted and the BOM skipped. In the other modes, no BOM mark + interpretation is done. After completion, *byteorder is set to the + current byte order at the end of input data. + + If byteorder is NULL, the codec starts in native order mode. + +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeUTF16( + const char *string, /* UTF-16 encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors, /* error handling */ + int *byteorder /* pointer to byteorder to use + 0=native;-1=LE,1=BE; updated on + exit */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeUTF16Stateful( + const char *string, /* UTF-16 encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors, /* error handling */ + int *byteorder, /* pointer to byteorder to use + 0=native;-1=LE,1=BE; updated on + exit */ + Py_ssize_t *consumed /* bytes consumed */ + ); + +/* Returns a Python string using the UTF-16 encoding in native byte + order. The string always starts with a BOM mark. */ + +PyAPI_FUNC(PyObject*) PyUnicode_AsUTF16String( + PyObject *unicode /* Unicode object */ + ); + +/* --- Unicode-Escape Codecs ---------------------------------------------- */ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeUnicodeEscape( + const char *string, /* Unicode-Escape encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_AsUnicodeEscapeString( + PyObject *unicode /* Unicode object */ + ); + +/* --- Raw-Unicode-Escape Codecs ------------------------------------------ */ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeRawUnicodeEscape( + const char *string, /* Raw-Unicode-Escape encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_AsRawUnicodeEscapeString( + PyObject *unicode /* Unicode object */ + ); + +/* --- Latin-1 Codecs ----------------------------------------------------- + + Note: Latin-1 corresponds to the first 256 Unicode ordinals. */ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeLatin1( + const char *string, /* Latin-1 encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_AsLatin1String( + PyObject *unicode /* Unicode object */ + ); + +/* --- ASCII Codecs ------------------------------------------------------- + + Only 7-bit ASCII data is excepted. All other codes generate errors. + +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeASCII( + const char *string, /* ASCII encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_AsASCIIString( + PyObject *unicode /* Unicode object */ + ); + +/* --- Character Map Codecs ----------------------------------------------- + + This codec uses mappings to encode and decode characters. + + Decoding mappings must map byte ordinals (integers in the range from 0 to + 255) to Unicode strings, integers (which are then interpreted as Unicode + ordinals) or None. Unmapped data bytes (ones which cause a LookupError) + as well as mapped to None, 0xFFFE or '\ufffe' are treated as "undefined + mapping" and cause an error. + + Encoding mappings must map Unicode ordinal integers to bytes objects, + integers in the range from 0 to 255 or None. Unmapped character + ordinals (ones which cause a LookupError) as well as mapped to + None are treated as "undefined mapping" and cause an error. + +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeCharmap( + const char *string, /* Encoded string */ + Py_ssize_t length, /* size of string */ + PyObject *mapping, /* decoding mapping */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_AsCharmapString( + PyObject *unicode, /* Unicode object */ + PyObject *mapping /* encoding mapping */ + ); + +/* --- MBCS codecs for Windows -------------------------------------------- */ + +#ifdef MS_WINDOWS +PyAPI_FUNC(PyObject*) PyUnicode_DecodeMBCS( + const char *string, /* MBCS encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors /* error handling */ + ); + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeMBCSStateful( + const char *string, /* MBCS encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors, /* error handling */ + Py_ssize_t *consumed /* bytes consumed */ + ); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject*) PyUnicode_DecodeCodePageStateful( + int code_page, /* code page number */ + const char *string, /* encoded string */ + Py_ssize_t length, /* size of string */ + const char *errors, /* error handling */ + Py_ssize_t *consumed /* bytes consumed */ + ); +#endif + +PyAPI_FUNC(PyObject*) PyUnicode_AsMBCSString( + PyObject *unicode /* Unicode object */ + ); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +PyAPI_FUNC(PyObject*) PyUnicode_EncodeCodePage( + int code_page, /* code page number */ + PyObject *unicode, /* Unicode object */ + const char *errors /* error handling */ + ); +#endif + +#endif /* MS_WINDOWS */ + +/* --- Locale encoding --------------------------------------------------- */ + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +/* Decode a string from the current locale encoding. The decoder is strict if + *surrogateescape* is equal to zero, otherwise it uses the 'surrogateescape' + error handler (PEP 383) to escape undecodable bytes. If a byte sequence can + be decoded as a surrogate character and *surrogateescape* is not equal to + zero, the byte sequence is escaped using the 'surrogateescape' error handler + instead of being decoded. *str* must end with a null character but cannot + contain embedded null characters. */ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeLocaleAndSize( + const char *str, + Py_ssize_t len, + const char *errors); + +/* Similar to PyUnicode_DecodeLocaleAndSize(), but compute the string + length using strlen(). */ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeLocale( + const char *str, + const char *errors); + +/* Encode a Unicode object to the current locale encoding. The encoder is + strict is *surrogateescape* is equal to zero, otherwise the + "surrogateescape" error handler is used. Return a bytes object. The string + cannot contain embedded null characters. */ + +PyAPI_FUNC(PyObject*) PyUnicode_EncodeLocale( + PyObject *unicode, + const char *errors + ); +#endif + +/* --- File system encoding ---------------------------------------------- */ + +/* ParseTuple converter: encode str objects to bytes using + PyUnicode_EncodeFSDefault(); bytes objects are output as-is. */ + +PyAPI_FUNC(int) PyUnicode_FSConverter(PyObject*, void*); + +/* ParseTuple converter: decode bytes objects to unicode using + PyUnicode_DecodeFSDefaultAndSize(); str objects are output as-is. */ + +PyAPI_FUNC(int) PyUnicode_FSDecoder(PyObject*, void*); + +/* Decode a null-terminated string using Py_FileSystemDefaultEncoding + and the "surrogateescape" error handler. + + If Py_FileSystemDefaultEncoding is not set, fall back to the locale + encoding. + + Use PyUnicode_DecodeFSDefaultAndSize() if the string length is known. +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeFSDefault( + const char *s /* encoded string */ + ); + +/* Decode a string using Py_FileSystemDefaultEncoding + and the "surrogateescape" error handler. + + If Py_FileSystemDefaultEncoding is not set, fall back to the locale + encoding. +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_DecodeFSDefaultAndSize( + const char *s, /* encoded string */ + Py_ssize_t size /* size */ + ); + +/* Encode a Unicode object to Py_FileSystemDefaultEncoding with the + "surrogateescape" error handler, and return bytes. + + If Py_FileSystemDefaultEncoding is not set, fall back to the locale + encoding. +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_EncodeFSDefault( + PyObject *unicode + ); + +/* --- Methods & Slots ---------------------------------------------------- + + These are capable of handling Unicode objects and strings on input + (we refer to them as strings in the descriptions) and return + Unicode objects or integers as appropriate. */ + +/* Concat two strings giving a new Unicode string. */ + +PyAPI_FUNC(PyObject*) PyUnicode_Concat( + PyObject *left, /* Left string */ + PyObject *right /* Right string */ + ); + +/* Concat two strings and put the result in *pleft + (sets *pleft to NULL on error) */ + +PyAPI_FUNC(void) PyUnicode_Append( + PyObject **pleft, /* Pointer to left string */ + PyObject *right /* Right string */ + ); + +/* Concat two strings, put the result in *pleft and drop the right object + (sets *pleft to NULL on error) */ + +PyAPI_FUNC(void) PyUnicode_AppendAndDel( + PyObject **pleft, /* Pointer to left string */ + PyObject *right /* Right string */ + ); + +/* Split a string giving a list of Unicode strings. + + If sep is NULL, splitting will be done at all whitespace + substrings. Otherwise, splits occur at the given separator. + + At most maxsplit splits will be done. If negative, no limit is set. + + Separators are not included in the resulting list. + +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_Split( + PyObject *s, /* String to split */ + PyObject *sep, /* String separator */ + Py_ssize_t maxsplit /* Maxsplit count */ + ); + +/* Dito, but split at line breaks. + + CRLF is considered to be one line break. Line breaks are not + included in the resulting list. */ + +PyAPI_FUNC(PyObject*) PyUnicode_Splitlines( + PyObject *s, /* String to split */ + int keepends /* If true, line end markers are included */ + ); + +/* Partition a string using a given separator. */ + +PyAPI_FUNC(PyObject*) PyUnicode_Partition( + PyObject *s, /* String to partition */ + PyObject *sep /* String separator */ + ); + +/* Partition a string using a given separator, searching from the end of the + string. */ + +PyAPI_FUNC(PyObject*) PyUnicode_RPartition( + PyObject *s, /* String to partition */ + PyObject *sep /* String separator */ + ); + +/* Split a string giving a list of Unicode strings. + + If sep is NULL, splitting will be done at all whitespace + substrings. Otherwise, splits occur at the given separator. + + At most maxsplit splits will be done. But unlike PyUnicode_Split + PyUnicode_RSplit splits from the end of the string. If negative, + no limit is set. + + Separators are not included in the resulting list. + +*/ + +PyAPI_FUNC(PyObject*) PyUnicode_RSplit( + PyObject *s, /* String to split */ + PyObject *sep, /* String separator */ + Py_ssize_t maxsplit /* Maxsplit count */ + ); + +/* Translate a string by applying a character mapping table to it and + return the resulting Unicode object. + + The mapping table must map Unicode ordinal integers to Unicode strings, + Unicode ordinal integers or None (causing deletion of the character). + + Mapping tables may be dictionaries or sequences. Unmapped character + ordinals (ones which cause a LookupError) are left untouched and + are copied as-is. + +*/ + +PyAPI_FUNC(PyObject *) PyUnicode_Translate( + PyObject *str, /* String */ + PyObject *table, /* Translate table */ + const char *errors /* error handling */ + ); + +/* Join a sequence of strings using the given separator and return + the resulting Unicode string. */ + +PyAPI_FUNC(PyObject*) PyUnicode_Join( + PyObject *separator, /* Separator string */ + PyObject *seq /* Sequence object */ + ); + +/* Return 1 if substr matches str[start:end] at the given tail end, 0 + otherwise. */ + +PyAPI_FUNC(Py_ssize_t) PyUnicode_Tailmatch( + PyObject *str, /* String */ + PyObject *substr, /* Prefix or Suffix string */ + Py_ssize_t start, /* Start index */ + Py_ssize_t end, /* Stop index */ + int direction /* Tail end: -1 prefix, +1 suffix */ + ); + +/* Return the first position of substr in str[start:end] using the + given search direction or -1 if not found. -2 is returned in case + an error occurred and an exception is set. */ + +PyAPI_FUNC(Py_ssize_t) PyUnicode_Find( + PyObject *str, /* String */ + PyObject *substr, /* Substring to find */ + Py_ssize_t start, /* Start index */ + Py_ssize_t end, /* Stop index */ + int direction /* Find direction: +1 forward, -1 backward */ + ); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03030000 +/* Like PyUnicode_Find, but search for single character only. */ +PyAPI_FUNC(Py_ssize_t) PyUnicode_FindChar( + PyObject *str, + Py_UCS4 ch, + Py_ssize_t start, + Py_ssize_t end, + int direction + ); +#endif + +/* Count the number of occurrences of substr in str[start:end]. */ + +PyAPI_FUNC(Py_ssize_t) PyUnicode_Count( + PyObject *str, /* String */ + PyObject *substr, /* Substring to count */ + Py_ssize_t start, /* Start index */ + Py_ssize_t end /* Stop index */ + ); + +/* Replace at most maxcount occurrences of substr in str with replstr + and return the resulting Unicode object. */ + +PyAPI_FUNC(PyObject *) PyUnicode_Replace( + PyObject *str, /* String */ + PyObject *substr, /* Substring to find */ + PyObject *replstr, /* Substring to replace */ + Py_ssize_t maxcount /* Max. number of replacements to apply; + -1 = all */ + ); + +/* Compare two strings and return -1, 0, 1 for less than, equal, + greater than resp. + Raise an exception and return -1 on error. */ + +PyAPI_FUNC(int) PyUnicode_Compare( + PyObject *left, /* Left string */ + PyObject *right /* Right string */ + ); + +/* Compare a Unicode object with C string and return -1, 0, 1 for less than, + equal, and greater than, respectively. It is best to pass only + ASCII-encoded strings, but the function interprets the input string as + ISO-8859-1 if it contains non-ASCII characters. + This function does not raise exceptions. */ + +PyAPI_FUNC(int) PyUnicode_CompareWithASCIIString( + PyObject *left, + const char *right /* ASCII-encoded string */ + ); + +/* Rich compare two strings and return one of the following: + + - NULL in case an exception was raised + - Py_True or Py_False for successful comparisons + - Py_NotImplemented in case the type combination is unknown + + Possible values for op: + + Py_GT, Py_GE, Py_EQ, Py_NE, Py_LT, Py_LE + +*/ + +PyAPI_FUNC(PyObject *) PyUnicode_RichCompare( + PyObject *left, /* Left string */ + PyObject *right, /* Right string */ + int op /* Operation: Py_EQ, Py_NE, Py_GT, etc. */ + ); + +/* Apply an argument tuple or dictionary to a format string and return + the resulting Unicode string. */ + +PyAPI_FUNC(PyObject *) PyUnicode_Format( + PyObject *format, /* Format string */ + PyObject *args /* Argument tuple or dictionary */ + ); + +/* Checks whether element is contained in container and return 1/0 + accordingly. + + element has to coerce to a one element Unicode string. -1 is + returned in case of an error. */ + +PyAPI_FUNC(int) PyUnicode_Contains( + PyObject *container, /* Container string */ + PyObject *element /* Element string */ + ); + +/* Checks whether argument is a valid identifier. */ + +PyAPI_FUNC(int) PyUnicode_IsIdentifier(PyObject *s); + +/* === Characters Type APIs =============================================== */ + +#ifndef Py_LIMITED_API +# define Py_CPYTHON_UNICODEOBJECT_H +# include "cpython/unicodeobject.h" +# undef Py_CPYTHON_UNICODEOBJECT_H +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_UNICODEOBJECT_H */ diff --git a/python-headers-win/Include/warnings.h b/python-headers-win/Include/warnings.h new file mode 100644 index 000000000..a675bb5df --- /dev/null +++ b/python-headers-win/Include/warnings.h @@ -0,0 +1,67 @@ +#ifndef Py_WARNINGS_H +#define Py_WARNINGS_H +#ifdef __cplusplus +extern "C" { +#endif + +#ifndef Py_LIMITED_API +PyAPI_FUNC(PyObject*) _PyWarnings_Init(void); +#endif + +PyAPI_FUNC(int) PyErr_WarnEx( + PyObject *category, + const char *message, /* UTF-8 encoded string */ + Py_ssize_t stack_level); +PyAPI_FUNC(int) PyErr_WarnFormat( + PyObject *category, + Py_ssize_t stack_level, + const char *format, /* ASCII-encoded string */ + ...); + +#if !defined(Py_LIMITED_API) || Py_LIMITED_API+0 >= 0x03060000 +/* Emit a ResourceWarning warning */ +PyAPI_FUNC(int) PyErr_ResourceWarning( + PyObject *source, + Py_ssize_t stack_level, + const char *format, /* ASCII-encoded string */ + ...); +#endif +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) PyErr_WarnExplicitObject( + PyObject *category, + PyObject *message, + PyObject *filename, + int lineno, + PyObject *module, + PyObject *registry); +#endif +PyAPI_FUNC(int) PyErr_WarnExplicit( + PyObject *category, + const char *message, /* UTF-8 encoded string */ + const char *filename, /* decoded from the filesystem encoding */ + int lineno, + const char *module, /* UTF-8 encoded string */ + PyObject *registry); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(int) +PyErr_WarnExplicitFormat(PyObject *category, + const char *filename, int lineno, + const char *module, PyObject *registry, + const char *format, ...); +#endif + +/* DEPRECATED: Use PyErr_WarnEx() instead. */ +#ifndef Py_LIMITED_API +#define PyErr_Warn(category, msg) PyErr_WarnEx(category, msg, 1) +#endif + +#ifndef Py_LIMITED_API +void _PyErr_WarnUnawaitedCoroutine(PyObject *coro); +#endif + +#ifdef __cplusplus +} +#endif +#endif /* !Py_WARNINGS_H */ + diff --git a/python-headers-win/Include/weakrefobject.h b/python-headers-win/Include/weakrefobject.h new file mode 100644 index 000000000..17051568f --- /dev/null +++ b/python-headers-win/Include/weakrefobject.h @@ -0,0 +1,86 @@ +/* Weak references objects for Python. */ + +#ifndef Py_WEAKREFOBJECT_H +#define Py_WEAKREFOBJECT_H +#ifdef __cplusplus +extern "C" { +#endif + + +typedef struct _PyWeakReference PyWeakReference; + +/* PyWeakReference is the base struct for the Python ReferenceType, ProxyType, + * and CallableProxyType. + */ +#ifndef Py_LIMITED_API +struct _PyWeakReference { + PyObject_HEAD + + /* The object to which this is a weak reference, or Py_None if none. + * Note that this is a stealth reference: wr_object's refcount is + * not incremented to reflect this pointer. + */ + PyObject *wr_object; + + /* A callable to invoke when wr_object dies, or NULL if none. */ + PyObject *wr_callback; + + /* A cache for wr_object's hash code. As usual for hashes, this is -1 + * if the hash code isn't known yet. + */ + Py_hash_t hash; + + /* If wr_object is weakly referenced, wr_object has a doubly-linked NULL- + * terminated list of weak references to it. These are the list pointers. + * If wr_object goes away, wr_object is set to Py_None, and these pointers + * have no meaning then. + */ + PyWeakReference *wr_prev; + PyWeakReference *wr_next; +}; +#endif + +PyAPI_DATA(PyTypeObject) _PyWeakref_RefType; +PyAPI_DATA(PyTypeObject) _PyWeakref_ProxyType; +PyAPI_DATA(PyTypeObject) _PyWeakref_CallableProxyType; + +#define PyWeakref_CheckRef(op) PyObject_TypeCheck(op, &_PyWeakref_RefType) +#define PyWeakref_CheckRefExact(op) \ + (Py_TYPE(op) == &_PyWeakref_RefType) +#define PyWeakref_CheckProxy(op) \ + ((Py_TYPE(op) == &_PyWeakref_ProxyType) || \ + (Py_TYPE(op) == &_PyWeakref_CallableProxyType)) + +#define PyWeakref_Check(op) \ + (PyWeakref_CheckRef(op) || PyWeakref_CheckProxy(op)) + + +PyAPI_FUNC(PyObject *) PyWeakref_NewRef(PyObject *ob, + PyObject *callback); +PyAPI_FUNC(PyObject *) PyWeakref_NewProxy(PyObject *ob, + PyObject *callback); +PyAPI_FUNC(PyObject *) PyWeakref_GetObject(PyObject *ref); + +#ifndef Py_LIMITED_API +PyAPI_FUNC(Py_ssize_t) _PyWeakref_GetWeakrefCount(PyWeakReference *head); + +PyAPI_FUNC(void) _PyWeakref_ClearRef(PyWeakReference *self); +#endif + +/* Explanation for the Py_REFCNT() check: when a weakref's target is part + of a long chain of deallocations which triggers the trashcan mechanism, + clearing the weakrefs can be delayed long after the target's refcount + has dropped to zero. In the meantime, code accessing the weakref will + be able to "see" the target object even though it is supposed to be + unreachable. See issue #16602. */ + +#define PyWeakref_GET_OBJECT(ref) \ + (Py_REFCNT(((PyWeakReference *)(ref))->wr_object) > 0 \ + ? ((PyWeakReference *)(ref))->wr_object \ + : Py_None) + + +#ifdef __cplusplus +} +#endif +#endif /* !Py_WEAKREFOBJECT_H */ diff --git a/python-headers-win/PC/pyconfig.h b/python-headers-win/PC/pyconfig.h new file mode 100644 index 000000000..b40e24f43 --- /dev/null +++ b/python-headers-win/PC/pyconfig.h @@ -0,0 +1,687 @@ +#ifndef Py_CONFIG_H +#define Py_CONFIG_H + +/* pyconfig.h. NOT Generated automatically by configure. + +This is a manually maintained version used for the Watcom, +Borland and Microsoft Visual C++ compilers. It is a +standard part of the Python distribution. + +WINDOWS DEFINES: +The code specific to Windows should be wrapped around one of +the following #defines + +MS_WIN64 - Code specific to the MS Win64 API +MS_WIN32 - Code specific to the MS Win32 (and Win64) API (obsolete, this covers all supported APIs) +MS_WINDOWS - Code specific to Windows, but all versions. +Py_ENABLE_SHARED - Code if the Python core is built as a DLL. + +Also note that neither "_M_IX86" or "_MSC_VER" should be used for +any purpose other than "Windows Intel x86 specific" and "Microsoft +compiler specific". Therefore, these should be very rare. + + +NOTE: The following symbols are deprecated: +NT, USE_DL_EXPORT, USE_DL_IMPORT, DL_EXPORT, DL_IMPORT +MS_CORE_DLL. + +WIN32 is still required for the locale module. + +*/ + +/* Deprecated USE_DL_EXPORT macro - please use Py_BUILD_CORE */ +#ifdef USE_DL_EXPORT +# define Py_BUILD_CORE +#endif /* USE_DL_EXPORT */ + +/* Visual Studio 2005 introduces deprecation warnings for + "insecure" and POSIX functions. The insecure functions should + be replaced by *_s versions (according to Microsoft); the + POSIX functions by _* versions (which, according to Microsoft, + would be ISO C conforming). Neither renaming is feasible, so + we just silence the warnings. */ + +#ifndef _CRT_SECURE_NO_DEPRECATE +#define _CRT_SECURE_NO_DEPRECATE 1 +#endif +#ifndef _CRT_NONSTDC_NO_DEPRECATE +#define _CRT_NONSTDC_NO_DEPRECATE 1 +#endif + +#define HAVE_IO_H +#define HAVE_SYS_UTIME_H +#define HAVE_TEMPNAM +#define HAVE_TMPFILE +#define HAVE_TMPNAM +#define HAVE_CLOCK +#define HAVE_STRERROR + +#include + +#define HAVE_HYPOT +#define HAVE_STRFTIME +#define DONT_HAVE_SIG_ALARM +#define DONT_HAVE_SIG_PAUSE +#define LONG_BIT 32 +#define WORD_BIT 32 + +#define MS_WIN32 /* only support win32 and greater. */ +#define MS_WINDOWS +#ifndef PYTHONPATH +# define PYTHONPATH L".\\DLLs;.\\lib" +#endif +#define NT_THREADS +#define WITH_THREAD +#ifndef NETSCAPE_PI +#define USE_SOCKET +#endif + + +/* Compiler specific defines */ + +/* ------------------------------------------------------------------------*/ +/* Microsoft C defines _MSC_VER */ +#ifdef _MSC_VER + +/* We want COMPILER to expand to a string containing _MSC_VER's *value*. + * This is horridly tricky, because the stringization operator only works + * on macro arguments, and doesn't evaluate macros passed *as* arguments. + * Attempts simpler than the following appear doomed to produce "_MSC_VER" + * literally in the string. + */ +#define _Py_PASTE_VERSION(SUFFIX) \ + ("[MSC v." _Py_STRINGIZE(_MSC_VER) " " SUFFIX "]") +/* e.g., this produces, after compile-time string catenation, + * ("[MSC v.1200 32 bit (Intel)]") + * + * _Py_STRINGIZE(_MSC_VER) expands to + * _Py_STRINGIZE1((_MSC_VER)) expands to + * _Py_STRINGIZE2(_MSC_VER) but as this call is the result of token-pasting + * it's scanned again for macros and so further expands to (under MSVC 6) + * _Py_STRINGIZE2(1200) which then expands to + * "1200" + */ +#define _Py_STRINGIZE(X) _Py_STRINGIZE1((X)) +#define _Py_STRINGIZE1(X) _Py_STRINGIZE2 ## X +#define _Py_STRINGIZE2(X) #X + +/* MSVC defines _WINxx to differentiate the windows platform types + + Note that for compatibility reasons _WIN32 is defined on Win32 + *and* on Win64. For the same reasons, in Python, MS_WIN32 is + defined on Win32 *and* Win64. Win32 only code must therefore be + guarded as follows: + #if defined(MS_WIN32) && !defined(MS_WIN64) +*/ +#ifdef _WIN64 +#define MS_WIN64 +#endif + +/* set the COMPILER */ +#ifdef MS_WIN64 +#if defined(_M_X64) || defined(_M_AMD64) +#if defined(__INTEL_COMPILER) +#define COMPILER ("[ICC v." _Py_STRINGIZE(__INTEL_COMPILER) " 64 bit (amd64) with MSC v." _Py_STRINGIZE(_MSC_VER) " CRT]") +#else +#define COMPILER _Py_PASTE_VERSION("64 bit (AMD64)") +#endif /* __INTEL_COMPILER */ +#define PYD_PLATFORM_TAG "win_amd64" +#elif defined(_M_ARM64) +#define COMPILER _Py_PASTE_VERSION("64 bit (ARM64)") +#define PYD_PLATFORM_TAG "win_arm64" +#else +#define COMPILER _Py_PASTE_VERSION("64 bit (Unknown)") +#endif +#endif /* MS_WIN64 */ + +/* set the version macros for the windows headers */ +/* Python 3.5+ requires Windows Vista or greater */ +#define Py_WINVER 0x0600 /* _WIN32_WINNT_VISTA */ +#define Py_NTDDI NTDDI_VISTA + +/* We only set these values when building Python - we don't want to force + these values on extensions, as that will affect the prototypes and + structures exposed in the Windows headers. Even when building Python, we + allow a single source file to override this - they may need access to + structures etc so it can optionally use new Windows features if it + determines at runtime they are available. +*/ +#if defined(Py_BUILD_CORE) || defined(Py_BUILD_CORE_BUILTIN) || defined(Py_BUILD_CORE_MODULE) +#ifndef NTDDI_VERSION +#define NTDDI_VERSION Py_NTDDI +#endif +#ifndef WINVER +#define WINVER Py_WINVER +#endif +#ifndef _WIN32_WINNT +#define _WIN32_WINNT Py_WINVER +#endif +#endif + +/* _W64 is not defined for VC6 or eVC4 */ +#ifndef _W64 +#define _W64 +#endif + +/* Define like size_t, omitting the "unsigned" */ +#ifdef MS_WIN64 +typedef __int64 ssize_t; +#else +typedef _W64 int ssize_t; +#endif +#define HAVE_SSIZE_T 1 + +#if defined(MS_WIN32) && !defined(MS_WIN64) +#if defined(_M_IX86) +#if defined(__INTEL_COMPILER) +#define COMPILER ("[ICC v." _Py_STRINGIZE(__INTEL_COMPILER) " 32 bit (Intel) with MSC v." _Py_STRINGIZE(_MSC_VER) " CRT]") +#else +#define COMPILER _Py_PASTE_VERSION("32 bit (Intel)") +#endif /* __INTEL_COMPILER */ +#define PYD_PLATFORM_TAG "win32" +#elif defined(_M_ARM) +#define COMPILER _Py_PASTE_VERSION("32 bit (ARM)") +#define PYD_PLATFORM_TAG "win_arm32" +#else +#define COMPILER _Py_PASTE_VERSION("32 bit (Unknown)") +#endif +#endif /* MS_WIN32 && !MS_WIN64 */ + +typedef int pid_t; + +#include +#define Py_IS_NAN _isnan +#define Py_IS_INFINITY(X) (!_finite(X) && !_isnan(X)) +#define Py_IS_FINITE(X) _finite(X) +#define copysign _copysign + +/* Side by Side assemblies supported in VS 2005 and VS 2008 but not 2010*/ +#if _MSC_VER >= 1400 && _MSC_VER < 1600 +#define HAVE_SXS 1 +#endif + +/* define some ANSI types that are not defined in earlier Win headers */ +#if _MSC_VER >= 1200 +/* This file only exists in VC 6.0 or higher */ +#include +#endif + +#endif /* _MSC_VER */ + +/* ------------------------------------------------------------------------*/ +/* egcs/gnu-win32 defines __GNUC__ and _WIN32 */ +#if defined(__GNUC__) && defined(_WIN32) +/* XXX These defines are likely incomplete, but should be easy to fix. + They should be complete enough to build extension modules. */ +/* Suggested by Rene Liebscher to avoid a GCC 2.91.* + bug that requires structure imports. More recent versions of the + compiler don't exhibit this bug. +*/ +#if (__GNUC__==2) && (__GNUC_MINOR__<=91) +#warning "Please use an up-to-date version of gcc! (>2.91 recommended)" +#endif + +#define COMPILER "[gcc]" +#define PY_LONG_LONG long long +#define PY_LLONG_MIN LLONG_MIN +#define PY_LLONG_MAX LLONG_MAX +#define PY_ULLONG_MAX ULLONG_MAX +#endif /* GNUC */ + +/* ------------------------------------------------------------------------*/ +/* lcc-win32 defines __LCC__ */ +#if defined(__LCC__) +/* XXX These defines are likely incomplete, but should be easy to fix. + They should be complete enough to build extension modules. */ + +#define COMPILER "[lcc-win32]" +typedef int pid_t; +/* __declspec() is supported here too - do nothing to get the defaults */ + +#endif /* LCC */ + +/* ------------------------------------------------------------------------*/ +/* End of compilers - finish up */ + +#ifndef NO_STDIO_H +# include +#endif + +/* 64 bit ints are usually spelt __int64 unless compiler has overridden */ +#ifndef PY_LONG_LONG +# define PY_LONG_LONG __int64 +# define PY_LLONG_MAX _I64_MAX +# define PY_LLONG_MIN _I64_MIN +# define PY_ULLONG_MAX _UI64_MAX +#endif + +/* For Windows the Python core is in a DLL by default. Test +Py_NO_ENABLE_SHARED to find out. Also support MS_NO_COREDLL for b/w compat */ +#if !defined(MS_NO_COREDLL) && !defined(Py_NO_ENABLE_SHARED) +# define Py_ENABLE_SHARED 1 /* standard symbol for shared library */ +# define MS_COREDLL /* deprecated old symbol */ +#endif /* !MS_NO_COREDLL && ... */ + +/* All windows compilers that use this header support __declspec */ +#define HAVE_DECLSPEC_DLL + +/* For an MSVC DLL, we can nominate the .lib files used by extensions */ +#ifdef MS_COREDLL +# if !defined(Py_BUILD_CORE) && !defined(Py_BUILD_CORE_BUILTIN) + /* not building the core - must be an ext */ +# if defined(_MSC_VER) + /* So MSVC users need not specify the .lib + file in their Makefile (other compilers are + generally taken care of by distutils.) */ +# if defined(_DEBUG) +# pragma comment(lib,"python38_d.lib") +# elif defined(Py_LIMITED_API) +# pragma comment(lib,"python3.lib") +# else +# pragma comment(lib,"python38.lib") +# endif /* _DEBUG */ +# endif /* _MSC_VER */ +# endif /* Py_BUILD_CORE */ +#endif /* MS_COREDLL */ + +#if defined(MS_WIN64) +/* maintain "win32" sys.platform for backward compatibility of Python code, + the Win64 API should be close enough to the Win32 API to make this + preferable */ +# define PLATFORM "win32" +# define SIZEOF_VOID_P 8 +# define SIZEOF_TIME_T 8 +# define SIZEOF_OFF_T 4 +# define SIZEOF_FPOS_T 8 +# define SIZEOF_HKEY 8 +# define SIZEOF_SIZE_T 8 +/* configure.ac defines HAVE_LARGEFILE_SUPPORT iff + sizeof(off_t) > sizeof(long), and sizeof(PY_LONG_LONG) >= sizeof(off_t). + On Win64 the second condition is not true, but if fpos_t replaces off_t + then this is true. The uses of HAVE_LARGEFILE_SUPPORT imply that Win64 + should define this. */ +# define HAVE_LARGEFILE_SUPPORT +#elif defined(MS_WIN32) +# define PLATFORM "win32" +# define HAVE_LARGEFILE_SUPPORT +# define SIZEOF_VOID_P 4 +# define SIZEOF_OFF_T 4 +# define SIZEOF_FPOS_T 8 +# define SIZEOF_HKEY 4 +# define SIZEOF_SIZE_T 4 + /* MS VS2005 changes time_t to a 64-bit type on all platforms */ +# if defined(_MSC_VER) && _MSC_VER >= 1400 +# define SIZEOF_TIME_T 8 +# else +# define SIZEOF_TIME_T 4 +# endif +#endif + +#ifdef _DEBUG +# define Py_DEBUG +#endif + + +#ifdef MS_WIN32 + +#define SIZEOF_SHORT 2 +#define SIZEOF_INT 4 +#define SIZEOF_LONG 4 +#define SIZEOF_LONG_LONG 8 +#define SIZEOF_DOUBLE 8 +#define SIZEOF_FLOAT 4 + +/* VC 7.1 has them and VC 6.0 does not. VC 6.0 has a version number of 1200. + Microsoft eMbedded Visual C++ 4.0 has a version number of 1201 and doesn't + define these. + If some compiler does not provide them, modify the #if appropriately. */ +#if defined(_MSC_VER) +#if _MSC_VER > 1300 +#define HAVE_UINTPTR_T 1 +#define HAVE_INTPTR_T 1 +#else +/* VC6, VS 2002 and eVC4 don't support the C99 LL suffix for 64-bit integer literals */ +#define Py_LL(x) x##I64 +#endif /* _MSC_VER > 1300 */ +#endif /* _MSC_VER */ + +#endif + +/* define signed and unsigned exact-width 32-bit and 64-bit types, used in the + implementation of Python integers. */ +#define PY_UINT32_T uint32_t +#define PY_UINT64_T uint64_t +#define PY_INT32_T int32_t +#define PY_INT64_T int64_t + +/* Fairly standard from here! */ + +/* Define to 1 if you have the `copysign' function. */ +#define HAVE_COPYSIGN 1 + +/* Define to 1 if you have the `round' function. */ +#if _MSC_VER >= 1800 +#define HAVE_ROUND 1 +#endif + +/* Define to 1 if you have the `isinf' macro. */ +#define HAVE_DECL_ISINF 1 + +/* Define to 1 if you have the `isnan' function. */ +#define HAVE_DECL_ISNAN 1 + +/* Define if on AIX 3. + System headers sometimes define this. + We just want to avoid a redefinition error message. */ +#ifndef _ALL_SOURCE +/* #undef _ALL_SOURCE */ +#endif + +/* Define to empty if the keyword does not work. */ +/* #define const */ + +/* Define to 1 if you have the header file. */ +#define HAVE_CONIO_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_DIRECT_H 1 + +/* Define to 1 if you have the declaration of `tzname', and to 0 if you don't. + */ +#define HAVE_DECL_TZNAME 1 + +/* Define if you have dirent.h. */ +/* #define DIRENT 1 */ + +/* Define to the type of elements in the array set by `getgroups'. + Usually this is either `int' or `gid_t'. */ +/* #undef GETGROUPS_T */ + +/* Define to `int' if doesn't define. */ +/* #undef gid_t */ + +/* Define if your struct tm has tm_zone. */ +/* #undef HAVE_TM_ZONE */ + +/* Define if you don't have tm_zone but do have the external array + tzname. */ +#define HAVE_TZNAME + +/* Define to `int' if doesn't define. */ +/* #undef mode_t */ + +/* Define if you don't have dirent.h, but have ndir.h. */ +/* #undef NDIR */ + +/* Define to `long' if doesn't define. */ +/* #undef off_t */ + +/* Define to `int' if doesn't define. */ +/* #undef pid_t */ + +/* Define if the system does not provide POSIX.1 features except + with this defined. */ +/* #undef _POSIX_1_SOURCE */ + +/* Define if you need to in order for stat and other things to work. */ +/* #undef _POSIX_SOURCE */ + +/* Define as the return type of signal handlers (int or void). */ +#define RETSIGTYPE void + +/* Define to `unsigned' if doesn't define. */ +/* #undef size_t */ + +/* Define if you have the ANSI C header files. */ +#define STDC_HEADERS 1 + +/* Define if you don't have dirent.h, but have sys/dir.h. */ +/* #undef SYSDIR */ + +/* Define if you don't have dirent.h, but have sys/ndir.h. */ +/* #undef SYSNDIR */ + +/* Define if you can safely include both and . */ +/* #undef TIME_WITH_SYS_TIME */ + +/* Define if your declares struct tm. */ +/* #define TM_IN_SYS_TIME 1 */ + +/* Define to `int' if doesn't define. */ +/* #undef uid_t */ + +/* Define if the closedir function returns void instead of int. */ +/* #undef VOID_CLOSEDIR */ + +/* Define if getpgrp() must be called as getpgrp(0) + and (consequently) setpgrp() as setpgrp(0, 0). */ +/* #undef GETPGRP_HAVE_ARGS */ + +/* Define this if your time.h defines altzone */ +/* #define HAVE_ALTZONE */ + +/* Define if you have the putenv function. */ +#define HAVE_PUTENV + +/* Define if your compiler supports function prototypes */ +#define HAVE_PROTOTYPES + +/* Define if you can safely include both and + (which you can't on SCO ODT 3.0). */ +/* #undef SYS_SELECT_WITH_SYS_TIME */ + +/* Define if you want documentation strings in extension modules */ +#define WITH_DOC_STRINGS 1 + +/* Define if you want to compile in rudimentary thread support */ +/* #undef WITH_THREAD */ + +/* Define if you want to use the GNU readline library */ +/* #define WITH_READLINE 1 */ + +/* Use Python's own small-block memory-allocator. */ +#define WITH_PYMALLOC 1 + +/* Define if you have clock. */ +/* #define HAVE_CLOCK */ + +/* Define when any dynamic module loading is enabled */ +#define HAVE_DYNAMIC_LOADING + +/* Define if you have ftime. */ +#define HAVE_FTIME + +/* Define if you have getpeername. */ +#define HAVE_GETPEERNAME + +/* Define if you have getpgrp. */ +/* #undef HAVE_GETPGRP */ + +/* Define if you have getpid. */ +#define HAVE_GETPID + +/* Define if you have gettimeofday. */ +/* #undef HAVE_GETTIMEOFDAY */ + +/* Define if you have getwd. */ +/* #undef HAVE_GETWD */ + +/* Define if you have lstat. */ +/* #undef HAVE_LSTAT */ + +/* Define if you have the mktime function. */ +#define HAVE_MKTIME + +/* Define if you have nice. */ +/* #undef HAVE_NICE */ + +/* Define if you have readlink. */ +/* #undef HAVE_READLINK */ + +/* Define if you have setpgid. */ +/* #undef HAVE_SETPGID */ + +/* Define if you have setpgrp. */ +/* #undef HAVE_SETPGRP */ + +/* Define if you have setsid. */ +/* #undef HAVE_SETSID */ + +/* Define if you have setvbuf. */ +#define HAVE_SETVBUF + +/* Define if you have siginterrupt. */ +/* #undef HAVE_SIGINTERRUPT */ + +/* Define if you have symlink. */ +/* #undef HAVE_SYMLINK */ + +/* Define if you have tcgetpgrp. */ +/* #undef HAVE_TCGETPGRP */ + +/* Define if you have tcsetpgrp. */ +/* #undef HAVE_TCSETPGRP */ + +/* Define if you have times. */ +/* #undef HAVE_TIMES */ + +/* Define if you have uname. */ +/* #undef HAVE_UNAME */ + +/* Define if you have waitpid. */ +/* #undef HAVE_WAITPID */ + +/* Define to 1 if you have the `wcsftime' function. */ +#if defined(_MSC_VER) && _MSC_VER >= 1310 +#define HAVE_WCSFTIME 1 +#endif + +/* Define to 1 if you have the `wcscoll' function. */ +#define HAVE_WCSCOLL 1 + +/* Define to 1 if you have the `wcsxfrm' function. */ +#define HAVE_WCSXFRM 1 + +/* Define if the zlib library has inflateCopy */ +#define HAVE_ZLIB_COPY 1 + +/* Define if you have the header file. */ +/* #undef HAVE_DLFCN_H */ + +/* Define to 1 if you have the header file. */ +#define HAVE_ERRNO_H 1 + +/* Define if you have the header file. */ +#define HAVE_FCNTL_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_PROCESS_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_SIGNAL_H 1 + +/* Define if you have the prototypes. */ +#define HAVE_STDARG_PROTOTYPES + +/* Define if you have the header file. */ +#define HAVE_STDDEF_H 1 + +/* Define if you have the header file. */ +/* #undef HAVE_SYS_AUDIOIO_H */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_PARAM_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_SELECT_H 1 */ + +/* Define to 1 if you have the header file. */ +#define HAVE_SYS_STAT_H 1 + +/* Define if you have the header file. */ +/* #define HAVE_SYS_TIME_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_TIMES_H 1 */ + +/* Define to 1 if you have the header file. */ +#define HAVE_SYS_TYPES_H 1 + +/* Define if you have the header file. */ +/* #define HAVE_SYS_UN_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_UTIME_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_SYS_UTSNAME_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_UNISTD_H 1 */ + +/* Define if you have the header file. */ +/* #define HAVE_UTIME_H 1 */ + +/* Define if the compiler provides a wchar.h header file. */ +#define HAVE_WCHAR_H 1 + +/* The size of `wchar_t', as computed by sizeof. */ +#define SIZEOF_WCHAR_T 2 + +/* The size of `_Bool', as computed by sizeof. */ +#define SIZEOF__BOOL 1 + +/* The size of `pid_t', as computed by sizeof. */ +#define SIZEOF_PID_T SIZEOF_INT + +/* Define if you have the dl library (-ldl). */ +/* #undef HAVE_LIBDL */ + +/* Define if you have the mpc library (-lmpc). */ +/* #undef HAVE_LIBMPC */ + +/* Define if you have the nsl library (-lnsl). */ +#define HAVE_LIBNSL 1 + +/* Define if you have the seq library (-lseq). */ +/* #undef HAVE_LIBSEQ */ + +/* Define if you have the socket library (-lsocket). */ +#define HAVE_LIBSOCKET 1 + +/* Define if you have the sun library (-lsun). */ +/* #undef HAVE_LIBSUN */ + +/* Define if you have the termcap library (-ltermcap). */ +/* #undef HAVE_LIBTERMCAP */ + +/* Define if you have the termlib library (-ltermlib). */ +/* #undef HAVE_LIBTERMLIB */ + +/* Define if you have the thread library (-lthread). */ +/* #undef HAVE_LIBTHREAD */ + +/* WinSock does not use a bitmask in select, and uses + socket handles greater than FD_SETSIZE */ +#define Py_SOCKET_FD_CAN_BE_GE_FD_SETSIZE + +/* Define if C doubles are 64-bit IEEE 754 binary format, stored with the + least significant byte first */ +#define DOUBLE_IS_LITTLE_ENDIAN_IEEE754 1 + +/* Define to 1 if you have the `erf' function. */ +#define HAVE_ERF 1 + +/* Define to 1 if you have the `erfc' function. */ +#define HAVE_ERFC 1 + +/* Define if you have the 'inet_pton' function. */ +#define HAVE_INET_PTON 1 + +/* framework name */ +#define _PYTHONFRAMEWORK "" + +/* Define if libssl has X509_VERIFY_PARAM_set1_host and related function */ +#define HAVE_X509_VERIFY_PARAM_SET1_HOST 1 + +#endif /* !Py_CONFIG_H */ diff --git a/script/CMakeLists.txt b/script/CMakeLists.txt index 479d8f916..abf5a0aff 100644 --- a/script/CMakeLists.txt +++ b/script/CMakeLists.txt @@ -1,12 +1,84 @@ -set(CMAKE_BUILD_TYPE Release) -cmake_minimum_required(VERSION 2.8) +cmake_minimum_required(VERSION 3.0) project(Scripts) +get_target_property(_if_compile_defs CrystalsDefines INTERFACE_COMPILE_DEFINITIONS) +set(defstring) +foreach(_def ${_if_compile_defs}) + list( APPEND defstring -D${_def}) +endforeach() +# Script file sources and targets +FILE (GLOB sscfiles RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}" "${CMAKE_CURRENT_SOURCE_DIR}/*.ssc") +SET (scpfiles) +FOREACH (_file ${sscfiles}) + STRING(REPLACE ".ssc" ".scp" file_scp ${_file}) + SET( arguments -ds -w -imacros ${CMAKE_SOURCE_DIR}/gui/crystalsinterface.h -o ${file_scp} -DCRYARCH=${CRYARCH} -DCRYHOST=${CRYHOST} -DCRYSVNVER=${CRYSVNVER} -DCRYVERSUM=${CRYVERSUM} -DCRYMONTH=${CRYMONTH} -DCRYYEAR=${CRYYEAR} ) + list(APPEND arguments ${defstring}) + ADD_CUSTOM_COMMAND( OUTPUT ${file_scp} + COMMAND ${PERL_EXECUTABLE} ${CMAKE_SOURCE_DIR}/editor/filepp.pl ${arguments} ${CMAKE_CURRENT_SOURCE_DIR}/${_file} + DEPENDS ${_file} + COMMENT "${PERL_EXECUTABLE} ${CMAKE_SOURCE_DIR}/editor/filepp.pl ${arguments} ${CMAKE_CURRENT_SOURCE_DIR}/${_file}") + LIST(APPEND scpfiles ${file_scp}) +ENDFOREACH() +FILE (GLOB sdafiles RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}" "${CMAKE_CURRENT_SOURCE_DIR}/*.sda") +SET (datfiles) +FOREACH (_file ${sdafiles}) + STRING(REPLACE ".sda" ".dat" file_dat ${_file}) + SET( arguments -ds -w -imacros ${CMAKE_SOURCE_DIR}/gui/crystalsinterface.h -o ${file_dat} -DCRYARCH=${CRYARCH} -DCRYHOST=${CRYHOST} -DCRYSVNVER=${CRYSVNVER} -DCRYVERSUM=${CRYVERSUM} -DCRYMONTH=${CRYMONTH} -DCRYYEAR=${CRYYEAR} ) + list(APPEND arguments ${defstring}) + ADD_CUSTOM_COMMAND( OUTPUT ${file_dat} + COMMAND ${PERL_EXECUTABLE} ${CMAKE_SOURCE_DIR}/editor/filepp.pl ${arguments} ${CMAKE_CURRENT_SOURCE_DIR}/${_file} + DEPENDS ${CMAKE_CURRENT_SOURCE_DIR}/${_file} + COMMENT "${PERL_EXECUTABLE} ${CMAKE_SOURCE_DIR}/editor/filepp.pl ${arguments} ${CMAKE_CURRENT_SOURCE_DIR}/${_file}") + LIST(APPEND datfiles ${file_dat}) +ENDFOREACH() + +#FILE (GLOB pyfiles "${CMAKE_CURRENT_SOURCE_DIR}/*.py") +#foreach(_file IN LISTS pyfiles) +# add_custom_command( +# TARGET PyFileTarget PRE_BUILD +# COMMAND ${CMAKE_COMMAND} -E copy_if_different ${_file} . +# COMMENT "Copying header: ${_file}") +#endforeach() + + + +file(GLOB templateFiles RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} ${CMAKE_CURRENT_SOURCE_DIR}/*.py) +foreach(templateFile ${templateFiles}) + set(srcTemplatePath ${CMAKE_CURRENT_SOURCE_DIR}/${templateFile}) + if(NOT IS_DIRECTORY ${srcTemplatePath}) + message(STATUS "Configuring file ${templateFile}") + configure_file( + ${srcTemplatePath} + ${templateFile} + COPYONLY) + endif(NOT IS_DIRECTORY ${srcTemplatePath}) +endforeach(templateFile) + + +# Data file sources and targets +#FILE (GLOB pyfiles RELATIVE "${CMAKE_CURRENT_SOURCE_DIR}" "${CMAKE_CURRENT_SOURCE_DIR}/*.py") +#message( STATUS "Pyfiles ${pyfiles}" ) +#SET (pyoutfiles) +#FOREACH (_file ${pyfiles}) +## get_filename_component(pyfile "${_file}" NAME) +# set( pyfile ${_file} ) +## message(STATUS "Generating ${pyfile}") +# ADD_CUSTOM_COMMAND( OUTPUT ${CMAKE_CURENT_BINARY_DIR}${pyfile} +# COMMAND ${CMAKE_COMMAND} -E copy_if_different "${_file}" "${pyfile}" +# COMMENT "Copying py script file: ${_file} to ${pyfile}" +# DEPENDS ${CMAKE_CURRENT_SOURCE_DIR}/${_file} ) +# LIST(APPEND pyoutfiles ${CMAKE_CURENT_BINARY_DIR}${pyfile} ) +#ENDFOREACH() + + + +add_library(CrystalsScripts INTERFACE ${scpfiles} ${datfiles}) +target_link_libraries(CrystalsScripts INTERFACE CrystalsDefines) diff --git a/script/args.py b/script/args.py new file mode 100644 index 000000000..bdce4a17b --- /dev/null +++ b/script/args.py @@ -0,0 +1,4 @@ +import sys + +print ('There were', len(sys.argv), 'arguments.') +print ('Argument List:', str(sys.argv)) diff --git a/script/compute.py b/script/compute.py new file mode 100644 index 000000000..1327474c1 --- /dev/null +++ b/script/compute.py @@ -0,0 +1,20 @@ + +# Demonstrate computing capabilities of crys-py. +# (eventually) + +import urllib.request +import sys + +print ("Download CRYSTALS website front page\n") + +response = urllib.request.urlopen('http://www.xtl.ox.ac.uk/') +data = response.read() +i = 0 +while ( len(data) > 72 ): + print (data[0:71]) + data = data[71:] + +print(data) +print ("Done.") + +print(sys.version) diff --git a/script/creg.py b/script/creg.py new file mode 100644 index 000000000..2dfd944b5 --- /dev/null +++ b/script/creg.py @@ -0,0 +1,25 @@ +import os + +def _find_strdir_win(): + import winreg as reg + reg_path = r"Software\Chem Cryst\Crystals" + + print ("Checking " + reg_path) + for install_type in reg.HKEY_CURRENT_USER, reg.HKEY_LOCAL_MACHINE: + try: + reg_key = reg.OpenKey(install_type, reg_path, 0, reg.KEY_READ) + _path, _type = reg.QueryValueEx(reg_key, 'Strdir') + reg_key.Close() + if not os.path.isdir(_path): + continue + except WindowsError: + print ("WindowsError") + _path = None + else: + break + + return _path + + +print ( "Strdir in registry is " + _find_strdir_win() ) + diff --git a/script/ric.py b/script/ric.py new file mode 100644 index 000000000..44d432dde --- /dev/null +++ b/script/ric.py @@ -0,0 +1,11 @@ +import crystals + +print("Hello Richard") + +print( dir(crystals) ) + +crystals.run(["#sum l 5", "end"]) + +#crys_run.crys_run("Hi........") + +print ( crystals.get(["anything","here"]) ) \ No newline at end of file diff --git a/script/version.py b/script/version.py new file mode 100644 index 000000000..1652feb76 --- /dev/null +++ b/script/version.py @@ -0,0 +1,5 @@ +import sys + +print ("Embedded python version:\n") + +print(sys.version) diff --git a/script/xprefs.ssc b/script/xprefs.ssc index 0e7d6cab8..f45b456e3 100644 --- a/script/xprefs.ssc +++ b/script/xprefs.ssc @@ -17,7 +17,7 @@ % END IF %% ^^WI WINDOW XPREFS 'Preferences' MODAL COMMIT='PREFS_OK' CANCEL='PREFS_XX' -^^WI GRID MAIN NROWS=11 NCOLS=3 +^^WI GRID MAIN NROWS=13 NCOLS=3 ^^WI { ^^WI @ 2,2 GRID Opts NROWS=3 NCOLS=3 ^^WI { @@ -50,13 +50,19 @@ ^^WI @ 1,3 EDITBOX XSXT ' ' CHARS=32 ^^WI @ 1,5 BUTTON BSXT 'Browse...' ^^WI } -^^WI @ 8,2 GRID EDITO NROWS=1 NCOLS=5 +^^WI @ 8,2 GRID DISCA NROWS=1 NCOLS=5 +^^WI { +^^WI @ 1,1 STATIC TE1 'discamb2tsc' +^^WI @ 1,3 EDITBOX XDISCA ' ' CHARS=32 +^^WI @ 1,5 BUTTON BDISCA 'Browse...' +^^WI } +^^WI @ 10,2 GRID EDITO NROWS=1 NCOLS=5 ^^WI { ^^WI @ 1,1 STATIC TE1 'External editor' ^^WI @ 1,3 EDITBOX XEDITO ' ' CHARS=32 ^^WI @ 1,5 BUTTON BEDITO 'Browse...' ^^WI } -^^WI @ 10,2 GRID BTNS NROWS=1 NCOLS=5 +^^WI @ 12,2 GRID BTNS NROWS=1 NCOLS=5 ^^WI { ^^WI @ 1,1 STRETCH MF_ST HORIZONTAL ^^WI @ 1,2 BUTTON PREFS_OK '&OK' LENGTH='Cancel' DEFAULT COMMIT @@ -80,6 +86,18 @@ % TRANSFER "^^CO SET XPLAT TEXT '" // CFILE // "'" TO DISPLAY % END IF %% +^^CO GETKEY DISCAMB2TSCEXE +% GET SILENT NOSTORE FINAL TEXT '1' '1' +% EVALUATE CFILE = CVALUE +% IF CFILE .EQ. '1' THEN +^^CO SET XDISCA TEXT ' ' +% ELSE IF FILEEXISTS ( CFILE ) .EQ. FALSE THEN +^^CO SET XDISCA TEXT ' ' +{E Stored discamb2tsc.exe location does not exist. +% ELSE +% TRANSFER "^^CO SET XDISCA TEXT '" // CFILE // "'" TO DISPLAY +% END IF +%% ^^CO GETKEY SHELXTEXE % GET SILENT NOSTORE FINAL TEXT '1' '1' % EVALUATE CFILE = CVALUE @@ -105,7 +123,7 @@ % END IF %% % LOOP -% VERIFY PREFS_OK PREFS_XX BPLAT BSXT BEDITO +% VERIFY PREFS_OK PREFS_XX BPLAT BSXT BEDITO BDISCA % GET SILENT NOSTORE FINAL ABBREVIATED ' ' 'PREFS_OK' % CASE VALUE % BLOCK @@ -129,6 +147,12 @@ % GET SILENT TEXT 'Platon location:' ' ' % INSERT '"' % OUTPUT +^^?? XDISCA TEXT +% CLEAR +% INSERT '^^CO SETKEY DISCAMB2TSCEXE "' +% GET SILENT TEXT 'Discamb2tsc location:' ' ' +% INSERT '"' +% OUTPUT ^^?? XSXT TEXT % CLEAR % INSERT '^^CO SETKEY SHELXTEXE "' @@ -172,6 +196,14 @@ % TRANSFER "^^CO SET XEDITO TEXT '" // CFILE // "'" TO DISPLAY % END IF % END BLOCK +% BLOCK % BDISCA +^^CO SYSOPENFILE 'discamb2tsc*.exe' 'Discamb2tsc executable' +% GET NOSTORE SILENT TEXT 'Discamb2tsc location:' +% IF CVALUE .NE. 'CANCEL' THEN +% EVALUATE CFILE = CVALUE +% TRANSFER "^^CO SET XDISCA TEXT '" // CFILE // "'" TO DISPLAY +% END IF +% END BLOCK % END CASE % END LOOP %END SCRIPT diff --git a/test_suite/INW64GH.org/absorb.out b/test_suite/INW64GH.org/absorb.out index 73a93639c..36dac68bf 100644 --- a/test_suite/INW64GH.org/absorb.out +++ b/test_suite/INW64GH.org/absorb.out @@ -16,7 +16,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -48,16 +48,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 53 @@ -115,16 +115,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 -0.58 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.68 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 1.04 2.35 -[35] 1.87 0.00 0.0 0.00 0.00 0.00 0.00 0.10 103.68 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 -0.59 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.68 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 1.05 2.35 +[35] 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.11 103.69 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 The updated reflections are now on UNIT 52 @@ -145,7 +145,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.079 -0.093 [89] -0.09 0.02 -0.10 @@ -177,16 +177,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 129.91 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.05 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 129.91 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 The updated reflections are now on UNIT 53 @@ -208,7 +208,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -233,16 +233,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 52 @@ -259,7 +259,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -286,16 +286,16 @@ -4. -2. -1. Excessive shape correction Inclinations 0.045 0.388 0.040 Correction 5.088 -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 4.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 3.8 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.4 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.6 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 2.4 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 53 @@ -309,7 +309,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -341,16 +341,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 52 diff --git a/test_suite/INW64GH.org/amp.out b/test_suite/INW64GH.org/amp.out index 89007043f..b1f53e293 100644 --- a/test_suite/INW64GH.org/amp.out +++ b/test_suite/INW64GH.org/amp.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -310,6 +309,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -469,8 +471,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +512,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +562,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +694,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +739,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +789,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +921,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +959,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1012,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1157,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1201,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1251,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1383,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1428,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1478,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1610,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1655,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1705,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1837,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1879,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1932,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2079,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2132,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2185,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2317,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2363,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2416,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2509,7 +2511,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2667,7 +2668,6 @@ LS-scale= 1.733 Wilson Scale= 0.000 with an R.M.S. deviation of 0.10 #PEAKS List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -2684,11 +2684,11 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GH.org/batch.out b/test_suite/INW64GH.org/batch.out index a03308a94..d2c187de5 100644 --- a/test_suite/INW64GH.org/batch.out +++ b/test_suite/INW64GH.org/batch.out @@ -46,7 +46,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -83,6 +82,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -242,8 +244,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -283,12 +285,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -344,57 +346,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -476,8 +478,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -518,15 +520,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.004 [03] Reversals @@ -582,57 +584,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -714,8 +716,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.19E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.19E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -756,15 +758,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -820,57 +822,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -953,8 +955,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.15E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.15E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -991,15 +993,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1055,57 +1057,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1199,8 +1201,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.19 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -1242,12 +1244,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -1303,57 +1305,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1435,8 +1437,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -1481,12 +1483,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -1542,57 +1544,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1674,8 +1676,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1716,15 +1718,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -1780,57 +1782,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1913,8 +1915,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1951,15 +1953,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2015,57 +2017,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2160,8 +2162,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.79 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -2213,12 +2215,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -2274,57 +2276,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2406,8 +2408,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.38 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -2450,15 +2452,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -2514,57 +2516,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2646,8 +2648,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2691,12 +2693,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -2752,57 +2754,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2885,8 +2887,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2926,12 +2928,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -2987,57 +2989,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3290,8 +3292,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -3330,15 +3332,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3471,8 +3473,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -3515,15 +3517,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3656,8 +3658,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3698,15 +3700,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3910,8 +3912,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3948,15 +3950,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4153,8 +4155,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -4193,15 +4195,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4334,8 +4336,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4376,15 +4378,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4517,8 +4519,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4555,15 +4557,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4772,8 +4774,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -4813,15 +4815,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4954,8 +4956,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -4998,15 +5000,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5139,8 +5141,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -5181,15 +5183,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5408,8 +5410,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5449,12 +5451,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -5510,57 +5512,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5642,8 +5644,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5684,15 +5686,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5748,57 +5750,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5880,8 +5882,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.55E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.55E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5922,15 +5924,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5986,57 +5988,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -6201,8 +6203,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -6239,15 +6241,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -6303,57 +6305,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -6448,8 +6450,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -6491,15 +6493,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -6555,57 +6557,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -6687,8 +6689,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -6732,12 +6734,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.024 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -6793,57 +6795,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6925,8 +6927,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -6967,15 +6969,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -7031,57 +7033,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -7246,8 +7248,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -7284,15 +7286,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7348,57 +7350,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7493,8 +7495,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.139E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.7 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.2 O 3 U[22] @@ -7547,12 +7549,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.009 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.02 -[31] 0.016 0.006 0.010 +[31] 0.016 0.007 0.010 [03] Reversals @@ -7608,57 +7610,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.17 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7740,8 +7742,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.62 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.5 C 4 U[11] @@ -7784,15 +7786,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [03] Reversals @@ -7848,57 +7850,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7980,8 +7982,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8025,12 +8027,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -8086,57 +8088,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -8301,8 +8303,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8339,15 +8341,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -8403,57 +8405,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -8690,8 +8692,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -8731,12 +8733,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -8792,57 +8794,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8924,8 +8926,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -8966,15 +8968,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.005 [03] Reversals @@ -9030,57 +9032,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9162,8 +9164,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9204,15 +9206,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9268,57 +9270,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -9401,8 +9403,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9439,15 +9441,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9503,57 +9505,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9647,8 +9649,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.18 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -9690,12 +9692,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -9751,57 +9753,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9883,8 +9885,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -9929,12 +9931,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -9990,57 +9992,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10122,8 +10124,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10164,15 +10166,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -10228,57 +10230,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10361,8 +10363,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.25E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.25E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10399,15 +10401,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10463,57 +10465,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -10608,8 +10610,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.80 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -10661,12 +10663,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -10722,57 +10724,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10854,8 +10856,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.37 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -10898,15 +10900,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -10962,57 +10964,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11094,8 +11096,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11139,12 +11141,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -11200,57 +11202,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11333,8 +11335,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11374,12 +11376,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -11435,57 +11437,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -11738,8 +11740,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -11778,15 +11780,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11919,8 +11921,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -11963,15 +11965,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12104,8 +12106,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12146,15 +12148,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12358,8 +12360,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12396,15 +12398,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12601,8 +12603,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -12641,15 +12643,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12782,8 +12784,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12824,15 +12826,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12965,8 +12967,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -13003,15 +13005,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13220,8 +13222,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -13261,15 +13263,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13402,8 +13404,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -13446,15 +13448,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13587,8 +13589,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -13629,15 +13631,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13856,8 +13858,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.51E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -13897,12 +13899,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -13958,57 +13960,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14090,8 +14092,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.53E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.53E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14132,15 +14134,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14196,57 +14198,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14328,8 +14330,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14370,15 +14372,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14434,57 +14436,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14649,8 +14651,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14687,15 +14689,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14751,57 +14753,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -14896,8 +14898,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -14939,15 +14941,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -15003,57 +15005,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -15135,8 +15137,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -15180,12 +15182,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.025 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -15241,57 +15243,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15373,8 +15375,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15415,15 +15417,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -15479,57 +15481,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -15694,8 +15696,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15732,15 +15734,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -15796,57 +15798,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15941,8 +15943,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.140E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.8 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.1 O 3 U[22] @@ -15997,12 +15999,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.003 0.004 +[31] 0.009 0.004 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.017 0.005 0.007 +[31] 0.017 0.006 0.007 [03] Reversals @@ -16058,57 +16060,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16190,8 +16192,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.63 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.6 C 4 U[11] @@ -16234,15 +16236,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.001 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.007 0.005 [03] Reversals @@ -16298,57 +16300,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16430,8 +16432,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16475,12 +16477,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -16536,57 +16538,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -16751,8 +16753,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16789,15 +16791,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -16853,57 +16855,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -17140,8 +17142,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -17179,15 +17181,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -17243,57 +17245,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17375,8 +17377,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17417,15 +17419,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -17481,57 +17483,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17613,8 +17615,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17658,12 +17660,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -17719,57 +17721,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -17852,8 +17854,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17890,15 +17892,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -17954,57 +17956,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -18098,8 +18100,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -18142,12 +18144,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -18203,57 +18205,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18335,8 +18337,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -18381,12 +18383,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -18442,57 +18444,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18574,8 +18576,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18619,12 +18621,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -18680,57 +18682,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -18813,8 +18815,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18854,12 +18856,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -18915,57 +18917,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -19060,8 +19062,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.41 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -19120,12 +19122,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -19181,57 +19183,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -19313,8 +19315,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.435E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -19360,12 +19362,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -19421,57 +19423,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19553,8 +19555,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19598,12 +19600,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -19659,57 +19661,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19792,8 +19794,8 @@ LS-scale= 1.658 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19833,12 +19835,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -19894,57 +19896,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -20192,8 +20194,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -20232,15 +20234,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20368,8 +20370,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -20412,15 +20414,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20548,8 +20550,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -20592,15 +20594,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20799,8 +20801,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -20839,15 +20841,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21036,8 +21038,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -21076,15 +21078,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21217,8 +21219,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21259,15 +21261,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21400,8 +21402,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21442,15 +21444,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21659,8 +21661,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 2 @@ -21700,15 +21702,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21841,8 +21843,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.95E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.88 SCALE for 2 parameters @@ -21884,15 +21886,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22025,8 +22027,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -22067,15 +22069,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22294,8 +22296,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22335,12 +22337,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -22396,57 +22398,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22528,8 +22530,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22566,15 +22568,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22630,57 +22632,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -22845,8 +22847,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22883,15 +22885,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22947,57 +22949,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -23092,8 +23094,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.9 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -23138,12 +23140,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -23199,57 +23201,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -23331,8 +23333,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -23377,12 +23379,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -23438,57 +23440,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23570,8 +23572,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23615,12 +23617,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -23676,57 +23678,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -23891,8 +23893,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23929,15 +23931,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -23993,57 +23995,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -24138,8 +24140,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -24198,12 +24200,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -24259,57 +24261,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24391,8 +24393,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -24438,12 +24440,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -24499,57 +24501,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24631,8 +24633,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24676,12 +24678,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -24737,57 +24739,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -24952,8 +24954,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24993,12 +24995,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -25054,57 +25056,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -25342,8 +25344,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -25381,15 +25383,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -25445,57 +25447,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25577,8 +25579,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25619,15 +25621,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -25683,57 +25685,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25815,8 +25817,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25860,12 +25862,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -25921,57 +25923,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -26054,8 +26056,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -26092,15 +26094,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -26156,57 +26158,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -26300,8 +26302,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -26344,12 +26346,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -26405,57 +26407,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26537,8 +26539,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -26583,12 +26585,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -26644,57 +26646,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26776,8 +26778,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -26821,12 +26823,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -26882,57 +26884,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -27015,8 +27017,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -27056,12 +27058,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -27117,57 +27119,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -27262,8 +27264,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.42 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -27322,12 +27324,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -27383,57 +27385,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -27515,8 +27517,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.436E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -27562,12 +27564,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -27623,57 +27625,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27755,8 +27757,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -27800,12 +27802,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -27861,57 +27863,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -27994,8 +27996,8 @@ LS-scale= 1.659 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -28035,12 +28037,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -28096,57 +28098,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -28394,8 +28396,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -28434,15 +28436,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28570,8 +28572,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -28614,15 +28616,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28750,8 +28752,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -28794,15 +28796,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29001,8 +29003,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -29041,15 +29043,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29238,8 +29240,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -29278,15 +29280,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29419,8 +29421,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29461,15 +29463,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29602,8 +29604,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29644,15 +29646,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29861,8 +29863,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 2 @@ -29902,15 +29904,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30043,8 +30045,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.96E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.87 SCALE for 2 parameters @@ -30086,15 +30088,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30227,8 +30229,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -30269,15 +30271,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30496,8 +30498,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30537,12 +30539,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -30598,57 +30600,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -30730,8 +30732,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30768,15 +30770,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30832,57 +30834,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -31047,8 +31049,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -31085,15 +31087,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -31149,57 +31151,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -31294,8 +31296,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.8 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -31340,12 +31342,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -31401,57 +31403,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -31533,8 +31535,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -31579,12 +31581,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -31640,57 +31642,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31774,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -31817,12 +31819,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -31878,57 +31880,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -32093,8 +32095,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -32131,15 +32133,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32195,57 +32197,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -32340,8 +32342,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -32400,12 +32402,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -32461,57 +32463,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32593,8 +32595,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -32640,12 +32642,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -32701,57 +32703,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32833,8 +32835,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -32878,12 +32880,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -32939,57 +32941,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -33154,8 +33156,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -33195,12 +33197,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -33256,57 +33258,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GH.org/bigsfls.out b/test_suite/INW64GH.org/bigsfls.out index 377529115..cb630a69d 100644 --- a/test_suite/INW64GH.org/bigsfls.out +++ b/test_suite/INW64GH.org/bigsfls.out @@ -42,7 +42,6 @@ Space group symbol is P -1 # PUNCHED ON 28/01/11 AT 14:14:55 # #LIST 5 -Bonds: Update required - There is no list 41 #DISK # # PUNCHED ON 16-JAN87 AT 15:59:13 @@ -70,7 +69,7 @@ Refining 206 parameters in 1 block : 21749 elements in the LS matrix. LARGE TEST JOB FOR CYBER Date Time - Print list type 22 serial number 1 Address 439995 Length 7131 Created on + Print list type 22 serial number 1 Address 437174 Length 7131 Created on 206 parameter(s) in 1 block(s) - as follows: @@ -1397,6 +1396,9 @@ Refining 206 parameters in 1 block : 21749 elements in the LS matrix. # ADD CHECK TO LOCATE FAILING RESTRAINT (RESTRAINT NO 28) #CHECK #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #CHECK @@ -2084,8 +2086,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.17E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2.17E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2E-05 Composite Composite @@ -2465,12 +2467,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.004 0.009 +[31] 0.026 0.004 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.04 0.01 0.01 0.01 -[31] 0.113 0.007 0.042 +[31] 0.114 0.008 0.043 [03] Reversals @@ -2515,742 +2517,742 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.007 0.011 0.009 +[31] 0.008 0.011 0.010 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.008 0.010 0.006 +[31] 0.008 0.010 0.007 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.008 0.010 0.007 +[31] 0.008 0.011 0.007 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.007 0.010 0.009 +[31] 0.007 0.011 0.010 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.23 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.04 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.010 0.005 0.011 +[31] 0.010 0.006 0.011 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.007 0.005 0.008 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.005 +[31] 0.006 0.007 0.006 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.008 0.007 0.008 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.006 0.008 0.008 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.008 +[31] 0.006 0.007 0.008 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.007 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.007 0.007 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.006 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.008 0.009 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.008 +[31] 0.007 0.006 0.008 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.007 0.008 0.008 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.009 0.007 0.008 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.009 +[31] 0.007 0.010 0.010 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.010 +[31] 0.009 0.007 0.010 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.008 0.010 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.009 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.006 0.007 0.009 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.006 +[31] 0.009 0.008 0.006 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.008 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.008 0.007 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.008 +[31] 0.008 0.006 0.008 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.007 +[31] 0.006 0.009 0.007 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.009 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.010 +[31] 0.008 0.007 0.010 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.007 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.007 0.009 0.007 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.010 +[31] 0.009 0.008 0.010 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.008 +[31] 0.011 0.010 0.009 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.011 +[31] 0.011 0.008 0.011 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.010 +[31] 0.008 0.008 0.010 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.009 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.008 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.009 +[31] 0.010 0.007 0.010 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.009 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.03 -[31] 0.122 0.123 0.128 +[31] 0.122 0.124 0.129 [37] H 116. 1.00 1.00 0.51 0.41 0.11 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.010 +[31] 0.010 0.007 0.010 [37] H 115. 1.00 1.00 0.57 0.53 0.00 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.011 0.006 [37] H 114. 1.00 1.00 0.58 0.68 0.01 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.008 [37] H 113. 1.00 1.00 0.52 0.69 0.14 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] H 112. 1.00 1.00 0.45 0.57 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.010 0.007 [37] H 126. 1.00 1.00 0.61 0.30 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] H 125. 1.00 1.00 0.72 0.17 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.011 +[31] 0.007 0.012 0.012 [37] H 124. 1.00 1.00 0.68 0.08 0.19 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.009 0.012 [37] H 123. 1.00 1.00 0.52 0.12 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.010 0.011 [37] H 122. 1.00 1.00 0.42 0.25 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.010 +[31] 0.008 0.011 0.011 [37] H 136. 1.00 1.00 0.33 0.32 0.45 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.009 0.010 +[31] 0.007 0.009 0.010 [37] H 135. 1.00 1.00 0.37 0.31 0.56 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.006 [37] H 134. 1.00 1.00 0.52 0.38 0.54 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] H 133. 1.00 1.00 0.62 0.45 0.41 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.011 +[31] 0.008 0.010 0.011 [37] H 132. 1.00 1.00 0.58 0.46 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.006 +[31] 0.009 0.009 0.007 [37] H 216. 1.00 1.00 0.24 0.72 0.20 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.010 0.010 0.008 [37] H 215. 1.00 1.00 0.31 0.81 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.011 +[31] 0.011 0.006 0.011 [37] H 214. 1.00 1.00 0.35 0.74 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.010 0.010 0.012 [37] H 213. 1.00 1.00 0.32 0.59 0.44 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.007 +[31] 0.010 0.011 0.008 [37] H 212. 1.00 1.00 0.25 0.50 0.39 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.009 +[31] 0.010 0.006 0.009 [37] H 226. 1.00 1.00 0.05 0.68 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.008 +[31] 0.012 0.010 0.009 [37] H 225. 1.00 1.00 -0.11 0.73 0.31 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.014 +[31] 0.013 0.009 0.014 [37] H 224. 1.00 1.00 -0.19 0.62 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.014 0.013 +[31] 0.007 0.014 0.013 [37] H 223. 1.00 1.00 -0.12 0.48 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.012 0.012 0.009 [37] H 222. 1.00 1.00 0.04 0.43 0.41 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.007 0.011 +[31] 0.012 0.007 0.012 [37] H 236. 1.00 1.00 0.06 0.55 0.17 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.011 +[31] 0.007 0.011 0.011 [37] H 235. 1.00 1.00 0.08 0.60 0.03 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.013 +[31] 0.011 0.012 0.013 [37] H 234. 1.00 1.00 0.23 0.66 -0.06 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.007 +[31] 0.014 0.011 0.007 [37] H 233. 1.00 1.00 0.36 0.67 -0.01 0.07 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] H 232. 1.00 1.00 0.34 0.61 0.12 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.012 +[31] 0.008 0.011 0.012 [37] H 316. 1.00 1.00 0.17 0.17 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.011 +[31] 0.007 0.011 0.012 [37] H 315. 1.00 1.00 0.27 0.11 0.64 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.006 +[31] 0.013 0.011 0.007 [37] H 314. 1.00 1.00 0.44 0.07 0.59 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.012 0.011 0.012 [37] H 313. 1.00 1.00 0.52 0.09 0.45 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.013 +[31] 0.006 0.011 0.013 [37] H 312. 1.00 1.00 0.42 0.14 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.011 0.011 0.007 [37] H 326. 1.00 1.00 0.07 0.09 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.009 0.011 [37] H 325. 1.00 1.00 -0.08 0.07 0.51 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.011 0.009 0.013 [37] H 324. 1.00 1.00 -0.16 0.16 0.59 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.012 0.010 +[31] 0.007 0.013 0.010 [37] H 323. 1.00 1.00 -0.07 0.28 0.58 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] H 322. 1.00 1.00 0.08 0.31 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.008 0.012 [37] H 336. 1.00 1.00 0.19 0.22 0.23 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.010 0.008 0.012 [37] H 335. 1.00 1.00 0.23 0.11 0.15 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.008 +[31] 0.012 0.014 0.009 [37] H 334. 1.00 1.00 0.31 -0.02 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.012 0.012 0.013 [37] H 333. 1.00 1.00 0.35 -0.07 0.32 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.014 +[31] 0.011 0.008 0.014 [37] H 332. 1.00 1.00 0.31 0.03 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.011 0.012 0.009 [37] H 413. 1.00 1.00 -0.29 0.59 0.15 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.011 +[31] 0.009 0.010 0.011 [37] H 415. 1.00 1.00 -0.29 0.54 0.12 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.010 0.012 0.010 [37] H 416. 1.00 1.00 -0.17 0.38 0.15 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.012 0.010 0.011 [37] H 412. 1.00 1.00 -0.20 0.61 0.27 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.009 0.011 +[31] 0.012 0.010 0.012 [37] H 414. 1.00 1.00 -0.09 0.47 0.29 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [37] H 426. 1.00 1.00 -0.09 0.20 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.013 +[31] 0.009 0.012 0.013 [37] H 425. 1.00 1.00 0.00 0.17 0.05 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.016 +[31] 0.016 0.011 0.016 [37] H 424. 1.00 1.00 0.14 0.23 -0.03 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.010 +[31] 0.015 0.014 0.010 [37] H 423. 1.00 1.00 0.21 0.33 0.00 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.012 +[31] 0.009 0.013 0.012 [37] H 422. 1.00 1.00 0.13 0.37 0.11 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.014 +[31] 0.013 0.010 0.015 [37] H 436. 1.00 1.00 -0.02 0.12 0.30 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.011 +[31] 0.008 0.013 0.012 [37] H 435. 1.00 1.00 -0.13 0.01 0.39 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.007 0.014 +[31] 0.015 0.007 0.014 [37] H 434. 1.00 1.00 -0.29 0.05 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] H 433. 1.00 1.00 -0.34 0.20 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.015 0.011 +[31] 0.008 0.015 0.011 [37] H 432. 1.00 1.00 -0.24 0.32 0.36 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.013 +[31] 0.013 0.008 0.013 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.066 0.224 0.384 0.225 0.178 1.306 Might be split @@ -3356,8 +3358,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.30E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.30E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -3394,15 +3396,15 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -3447,442 +3449,442 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.000 0.001 0.001 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.000 0.002 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 222. 1.00 1.00 0.00 0.50 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 322. 1.00 1.00 0.04 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 325. 1.00 1.00 -0.04 0.11 0.50 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -3992,8 +3994,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.76E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.76E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 [14] S/ESD 217 217 -0.012 0.0E+00 0.79 E-03 -15.0 C 414 X [14] S/ESD 219 219 -0.010 0.0E+00 0.63 E-03 -16.9 C 414 Z @@ -4035,12 +4037,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.030 +[31] 0.029 0.024 0.030 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.174 0.155 0.200 +[31] 0.175 0.155 0.201 [03] Reversals @@ -4085,437 +4087,437 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.006 0.007 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.019 +[31] 0.017 0.016 0.019 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.017 +[31] 0.016 0.019 0.017 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.014 +[31] 0.016 0.016 0.015 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.017 +[31] 0.016 0.018 0.017 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.017 +[31] 0.015 0.017 0.017 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.016 0.027 +[31] 0.021 0.016 0.028 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.011 0.012 0.012 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.011 +[31] 0.009 0.011 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.012 0.013 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.013 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.015 0.014 0.013 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.012 +[31] 0.015 0.014 0.013 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.014 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.011 0.013 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.010 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.011 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.014 0.014 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.014 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.013 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.016 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.014 0.014 0.014 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.011 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.014 0.012 0.015 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.017 +[31] 0.015 0.013 0.017 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.012 0.016 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.013 0.011 0.014 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.010 0.013 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.015 0.012 0.016 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.016 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.014 0.014 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.014 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.017 +[31] 0.013 0.017 0.017 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.013 0.016 0.016 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.013 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 413. 1.00 1.00 -0.24 0.57 0.19 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.015 0.013 [37] C 414. 1.00 1.00 -0.15 0.49 0.24 0.05 [73] 0.00 -0.01 0.00 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.014 0.012 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.014 0.013 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.013 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.013 0.015 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.019 +[31] 0.018 0.016 0.019 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.015 +[31] 0.014 0.013 0.015 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.016 0.015 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.015 +[31] 0.016 0.017 0.015 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.017 0.015 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.015 0.015 0.014 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -4635,15 +4637,15 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.007 +[31] 0.004 0.004 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.017 0.058 +[31] 0.036 0.017 0.059 [03] Reversals @@ -4688,437 +4690,437 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.018 +[31] 0.016 0.015 0.018 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.016 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.015 0.014 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.017 0.016 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.016 +[31] 0.014 0.016 0.016 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.026 +[31] 0.020 0.015 0.026 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.011 0.011 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.010 0.008 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.011 0.012 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.014 0.013 0.012 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.010 +[31] 0.009 0.009 0.010 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.009 0.011 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.012 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.013 +[31] 0.011 0.014 0.013 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.012 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.014 0.015 0.015 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 225. 1.00 1.00 -0.08 0.67 0.33 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.014 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.016 +[31] 0.015 0.012 0.016 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.015 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.012 0.010 0.012 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.014 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.011 0.015 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.013 0.013 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.016 +[31] 0.013 0.016 0.016 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.015 +[31] 0.012 0.015 0.015 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.013 0.012 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [37] C 413. 1.00 1.00 -0.25 0.57 0.19 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.012 [37] C 414. 1.00 1.00 -0.15 0.50 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.011 0.013 0.011 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.012 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.013 0.012 0.014 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.015 0.018 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.013 0.012 0.014 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.012 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.013 +[31] 0.015 0.015 0.014 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.014 +[31] 0.015 0.016 0.014 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.016 0.014 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -5225,11 +5227,11 @@ LS-scale= 0.909 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 0. #CYCLENDS #FINISH - Physical reads 13250 Physical writes 10075 Cache hits 223484 - Cache hit distribution 203821 13110 2277 745 323 601 - Cache hit distribution 184 122 211 202 234 211 - Cache hit distribution 190 163 152 169 211 105 - Cache hit distribution 161 50 41 61 66 74 + Physical reads 12295 Physical writes 10033 Cache hits 212128 + Cache hit distribution 193706 12523 2297 748 315 421 + Cache hit distribution 163 112 181 236 279 171 + Cache hit distribution 150 202 138 93 45 52 + Cache hit distribution 89 52 32 48 45 30 : Job ends ok with 0 warnings and 0 errors diff --git a/test_suite/INW64GH.org/difabs.out b/test_suite/INW64GH.org/difabs.out index 44ad1f5d2..db60451a9 100644 --- a/test_suite/INW64GH.org/difabs.out +++ b/test_suite/INW64GH.org/difabs.out @@ -14,7 +14,7 @@ [89] 0.02 -0.08 0.05 -[31] 0.139 -0.000 -0.003 +[31] 0.139 -0.001 -0.003 #LIST 2 #LIST 6 #LIST 28 diff --git a/test_suite/INW64GH.org/dist.out b/test_suite/INW64GH.org/dist.out index f2a41d4e5..da0e5a175 100644 --- a/test_suite/INW64GH.org/dist.out +++ b/test_suite/INW64GH.org/dist.out @@ -10,11 +10,12 @@ # PUNCHED ON 11/07/12 AT 13:24:49 # #LIST 5 -Bonds: Update required - There is no list 41 #DIST #CLEAR 12 #LIST 12 #LIST 31 +#BONDCALC +Bonds: Update required - There is no list 41 #DIST diff --git a/test_suite/INW64GH.org/eigenfilter.out b/test_suite/INW64GH.org/eigenfilter.out index f1f8c65c0..19e80b620 100644 --- a/test_suite/INW64GH.org/eigenfilter.out +++ b/test_suite/INW64GH.org/eigenfilter.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -310,6 +309,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -508,12 +510,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -558,57 +560,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -733,12 +735,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -783,57 +785,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -951,15 +953,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1004,57 +1006,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1191,12 +1193,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1241,57 +1243,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1416,12 +1418,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1466,57 +1468,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1641,12 +1643,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1691,57 +1693,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1863,15 +1865,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1916,57 +1918,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2114,15 +2116,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2167,57 +2169,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2343,15 +2345,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2396,57 +2398,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2491,7 +2493,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2649,7 +2650,6 @@ LS-scale= 1.733 Wilson Scale= 0.000 with an R.M.S. deviation of 0.10 #PEAKS List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -2666,11 +2666,11 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2978,15 +2978,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3031,57 +3031,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3124,7 +3124,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -3531,12 +3530,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -3581,57 +3580,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3756,12 +3755,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -3806,57 +3805,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3981,12 +3980,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4031,57 +4030,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4218,12 +4217,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4268,57 +4267,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4443,12 +4442,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4493,57 +4492,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4668,12 +4667,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -4718,57 +4717,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4890,15 +4889,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -4943,57 +4942,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5141,15 +5140,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.76 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5194,57 +5193,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5370,15 +5369,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5423,60 +5422,61 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -5518,7 +5518,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -5676,7 +5675,6 @@ LS-scale= 1.733 Wilson Scale= 0.000 with an R.M.S. deviation of 0.10 #PEAKS List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -5693,9 +5691,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -6003,15 +6001,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.008 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.014 0.023 0.018 [03] Reversals @@ -6056,57 +6054,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -6149,7 +6147,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -6557,12 +6554,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -6607,57 +6604,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -6782,12 +6779,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -6832,57 +6829,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7007,12 +7004,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -7057,57 +7054,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -7243,12 +7240,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -7293,57 +7290,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7468,12 +7465,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -7518,57 +7515,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7693,12 +7690,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -7743,57 +7740,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7911,15 +7908,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7964,57 +7961,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8164,15 +8161,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8217,57 +8214,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8393,15 +8390,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8446,60 +8443,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -8541,7 +8539,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -8710,7 +8707,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -8727,9 +8723,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -9037,15 +9033,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -9090,57 +9086,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -9183,7 +9179,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -9591,12 +9586,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -9641,57 +9636,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -9816,12 +9811,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -9866,57 +9861,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10041,12 +10036,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -10091,57 +10086,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -10277,12 +10272,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -10327,57 +10322,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10502,12 +10497,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -10552,57 +10547,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10727,12 +10722,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -10777,57 +10772,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10945,15 +10940,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10998,57 +10993,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11198,15 +11193,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11251,57 +11246,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11427,15 +11422,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11480,60 +11475,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -11575,7 +11571,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -11744,7 +11739,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -11761,9 +11755,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -12071,15 +12065,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -12124,57 +12118,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GH.org/esd.out b/test_suite/INW64GH.org/esd.out index 1dfb929f8..982357203 100644 --- a/test_suite/INW64GH.org/esd.out +++ b/test_suite/INW64GH.org/esd.out @@ -24,9 +24,11 @@ # PUNCHED ON 14-MAY81 AT 10:38:11 # #LIST 5 -Bonds: Update required - There is no list 41 #SET MIRROR ON #EDIT +#BONDCALC +Bonds: Update required - There is no list 41 +#EDIT # PERTURB THE STRUCTURE The following atom(s) will be arithmetically modified Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -843,8 +845,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -913,12 +915,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.003 0.005 [03] Reversals @@ -963,37 +965,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST @@ -1963,8 +1965,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.12E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -2025,12 +2027,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.002 0.005 [03] Reversals @@ -2075,37 +2077,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST diff --git a/test_suite/INW64GH.org/flack.out b/test_suite/INW64GH.org/flack.out index 61a246cd7..3e0b7c07f 100644 --- a/test_suite/INW64GH.org/flack.out +++ b/test_suite/INW64GH.org/flack.out @@ -38,7 +38,6 @@ # PUNCHED ON 5-OCT84 AT 16:49:57 # #LIST 5 -Bonds: Update required - There is no list 41 #LIST 3 #LIST 23 #LIST 12 @@ -48,6 +47,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -142,8 +144,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -180,15 +182,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -289,8 +291,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -327,15 +329,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -474,8 +476,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -513,15 +515,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -613,8 +615,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -651,15 +653,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -783,8 +785,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -821,15 +823,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -930,8 +932,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -968,15 +970,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1115,8 +1117,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -1154,15 +1156,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1254,8 +1256,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1292,15 +1294,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1425,8 +1427,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.4 E-02 -0.2 POLARITY for 1 parameters @@ -1464,15 +1466,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1573,8 +1575,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1611,15 +1613,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1758,8 +1760,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -2.0 0.0E+00 0.3 E+00 -6.0 POLARITY for 1 parameters @@ -1797,15 +1799,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1897,8 +1899,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 -0.9E-03 0.4 E-02 0.4 POLARITY for 1 parameters @@ -1936,15 +1938,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2069,8 +2071,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.1 E-02 -0.5 ENANTIO for 1 parameters @@ -2108,15 +2110,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2218,8 +2220,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -2256,15 +2258,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2403,8 +2405,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.9 0.0E+00 0.1 E+00 -6.7 ENANTIO for 1 parameters @@ -2442,15 +2444,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2542,8 +2544,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.6E-02 0.2 E-02 -3.1 ENANTIO for 1 parameters @@ -2581,15 +2583,15 @@ All cycle Min function 0.0 0.50E-03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2736,8 +2738,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 1 1 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 1 parameters @@ -2775,15 +2777,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -2828,7 +2830,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2879,8 +2881,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -2921,15 +2923,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -2974,7 +2976,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3026,8 +3028,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -3064,15 +3066,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3117,7 +3119,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3168,8 +3170,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 4. @@ -3210,15 +3212,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -3263,7 +3265,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FINALLY, INVERT POLARITY AND ENANTIOMER, @@ -3371,8 +3373,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.25E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 2 2 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 2 parameters @@ -3410,15 +3412,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -3463,7 +3465,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3515,8 +3517,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.28E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.28E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3557,15 +3559,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -3610,7 +3612,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3662,8 +3664,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3700,15 +3702,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3753,7 +3755,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3804,8 +3806,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 3. @@ -3846,15 +3848,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3899,7 +3901,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOW IMPORT AGS4, THE SHELX2013 TEST DATA @@ -3931,7 +3933,6 @@ Space group symbol is P -4 #LIST 4 #LIST 3 #LIST 5 -Bonds: Update required - List5 length change # # PUNCHED ON 03/04/14 AT 08:39:39 # @@ -4323,8 +4324,8 @@ LS-scale= 2.699 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.86E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.86E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 0.052 0.0E+00 0.335E-01 1.56 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.2 E-01 0.1 ENANTIO @@ -4366,12 +4367,12 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.001 0.002 0.006 [03] Reversals @@ -4416,42 +4417,42 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.045 0.093 0.310 0.149 0.109 0.632 Might be split @@ -4536,8 +4537,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.83E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.83E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 [13] LARGE 2 2 0.0 0.3E+00 0.2 E-01 0.0 ENANTIO for 56 parameters @@ -4582,12 +4583,12 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -4632,42 +4633,42 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.625 Might be split @@ -4752,8 +4753,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.82E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.82E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 for 56 parameters [64] The rms (shift/su) = 0. @@ -4793,12 +4794,12 @@ All cycle Rw 0.0 7.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [03] Reversals @@ -4843,42 +4844,42 @@ All cycle Rw 0.0 7.1 0.10E+03 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.624 Might be split @@ -5043,7 +5044,7 @@ LS-scale= 2.709 Wilson Scale= 0.000 After 1 pass 904 reflection(s) have been sorted The updated reflections are now on UNIT 53 #PURGE LIST=7 - List type 5 serial number 65 from 51464 to 51690 will not be copied ( deleted ) + List type 5 serial number 65 from 51194 to 51420 will not be copied ( deleted ) ************************************************************************ diff --git a/test_suite/INW64GH.org/fourier.out b/test_suite/INW64GH.org/fourier.out index e6c6246df..2f4ce6eef 100644 --- a/test_suite/INW64GH.org/fourier.out +++ b/test_suite/INW64GH.org/fourier.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -304,6 +303,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -27949,8 +27951,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -27990,12 +27992,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -28040,57 +28042,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28172,8 +28174,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28217,12 +28219,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -28267,57 +28269,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28399,8 +28401,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28437,15 +28439,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -28490,57 +28492,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -28635,8 +28637,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -28679,12 +28681,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -28729,57 +28731,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28861,8 +28863,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -28906,12 +28908,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -28956,57 +28958,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29088,8 +29090,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29133,12 +29135,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -29183,57 +29185,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29315,8 +29317,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29357,15 +29359,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -29410,57 +29412,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -29557,8 +29559,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -29610,15 +29612,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29663,57 +29665,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29795,8 +29797,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -29841,15 +29843,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29894,57 +29896,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 diff --git a/test_suite/INW64GH.org/geom.out b/test_suite/INW64GH.org/geom.out index 0096e3b1f..c1422fbb8 100644 --- a/test_suite/INW64GH.org/geom.out +++ b/test_suite/INW64GH.org/geom.out @@ -189,9 +189,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 5.64 -0.82 -2.7 0.02 -0.00 0.00 -0.05 -0.06 0.11 -[35] -0.82 16.99 4.6 -0.00 0.03 -0.00 0.13 -0.06 0.04 -[35] -2.72 4.60 2.2 0.00 -0.00 0.03 -0.08 -0.38 0.11 +[35] 5.64 -0.82 -2.72 0.02 -0.00 0.00 -0.05 -0.06 0.11 +[35] -0.82 17.00 4.61 -0.00 0.03 -0.00 0.14 -0.06 0.05 +[35] -2.72 4.61 2.28 0.00 -0.00 0.03 -0.09 -0.39 0.11 @@ -216,9 +216,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.00 -0.00 0.14 -0.24 -0.28 -[35] 0.00 6.47 0.0 -0.00 0.02 0.00 0.05 0.00 0.08 -[35] 0.00 0.00 18.5 -0.00 0.00 0.02 0.13 0.04 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.00 -0.00 0.15 -0.24 -0.28 +[35] 0.00 6.47 0.00 -0.00 0.02 0.00 0.06 0.00 0.08 +[35] 0.00 0.00 18.51 -0.00 0.00 0.03 0.14 0.04 -0.15 @@ -237,9 +237,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.53 -0.62 0.14 0.00 0.00 -[35] 0.00 6.47 0.0 -0.53 0.88 1.01 0.00 0.00 0.00 -[35] 0.00 0.00 18.5 -0.62 1.01 1.21 0.00 0.00 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.54 -0.62 0.15 0.00 0.00 +[35] 0.00 6.47 0.00 -0.54 0.89 1.01 0.00 0.00 0.00 +[35] 0.00 0.00 18.51 -0.62 1.01 1.21 0.00 0.00 -0.15 diff --git a/test_suite/INW64GH.org/hydro.out b/test_suite/INW64GH.org/hydro.out index 49c5645af..2a33a14fc 100644 --- a/test_suite/INW64GH.org/hydro.out +++ b/test_suite/INW64GH.org/hydro.out @@ -9,7 +9,6 @@ #SET MIRROR OFF # DJW JUN09 #LIST 13 -Bonds: Update required - There is no list 41 #COMPOSITION #LIST 3 #LIST 29 @@ -113,7 +112,6 @@ Space group symbol is P -1 [82] H 21.0 1.00000 1. 0.60 0.67 0.06 0.06 List now contains 39 atoms -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 39 atoms @@ -163,15 +161,18 @@ Bonds: Update required - List5 length change The list currently contains 6 overall parameters SCALE 8.987 DU[ISO] 0.050 OU[ISO] 0.050 POLARITY 1.000 ENANTIO 0.000 EXTPARAM 0.000 +#EDIT +#BONDCALC +Bonds: Update required - There is no list 41 #EDIT The following atom(s) will be selected O 2 N 1 C 1 S 1 O 1 C 2 C 3 C 4 C 5 C 6 C 7 C 8 C 9 C 10 C 11 C 12 C 13 C 14 List 5 now contains 18 atom(s) -Bonds: Update required - List5 length change # NOTE THAT THE PHENYL GROUP IS REALLY BONDED TO C1 #PERHYDRO +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H23 C(1) N(1) C(6,1,1,0,1) H12 C(2) C(7) C(3) @@ -266,7 +267,6 @@ H33 C(14) C(11) C(10) [82] H 142.0 1.00000 1. -0.28 1.01 0.46 0.10 [82] H 143.0 1.00000 1. -0.31 0.85 0.59 0.10 List now contains 32 atoms -Bonds: Update required - List5 length change #FINI diff --git a/test_suite/INW64GH.org/layers.out b/test_suite/INW64GH.org/layers.out index 4a7d68c2b..a16b700fb 100644 --- a/test_suite/INW64GH.org/layers.out +++ b/test_suite/INW64GH.org/layers.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -247,6 +246,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -411,8 +413,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -459,12 +461,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -520,57 +522,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -652,8 +654,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -708,12 +710,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -769,57 +771,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -901,8 +903,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -954,12 +956,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -1015,57 +1017,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1162,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -1212,12 +1214,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -1273,57 +1275,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1405,8 +1407,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -1458,12 +1460,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -1519,57 +1521,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1651,8 +1653,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -1701,15 +1703,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -1765,57 +1767,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1897,8 +1899,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -1950,12 +1952,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -2011,57 +2013,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2158,8 +2160,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -2222,15 +2224,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2286,57 +2288,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2418,8 +2420,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -2471,15 +2473,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2535,57 +2537,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -2867,7 +2869,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.25 -0.06 0.18 0.05 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.05 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2960,6 +2961,7 @@ LS-scale= 1.673 Wilson Scale= 0.000 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -3228,8 +3230,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.77 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -3279,15 +3281,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3343,57 +3345,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3475,8 +3477,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -3525,15 +3527,15 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3589,57 +3591,57 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3721,8 +3723,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -3770,15 +3772,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3834,57 +3836,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3927,7 +3929,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -4291,8 +4292,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -4339,12 +4340,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -4400,57 +4401,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4532,8 +4533,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -4588,12 +4589,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -4649,57 +4650,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4781,8 +4782,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -4834,12 +4835,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -4895,57 +4896,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5040,8 +5041,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -5092,12 +5093,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -5153,57 +5154,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5285,8 +5286,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -5338,12 +5339,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -5399,57 +5400,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5531,8 +5532,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -5581,15 +5582,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -5645,57 +5646,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5777,8 +5778,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -5830,12 +5831,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -5891,57 +5892,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -6038,8 +6039,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -6102,15 +6103,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6166,57 +6167,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6298,8 +6299,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -6351,15 +6352,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6415,57 +6416,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -6475,7 +6476,7 @@ Inter cycle Rw -5.0 3.8 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 22 serial number 7 Address 126248 Length 318 Created on + Print list type 22 serial number 7 Address 126025 Length 318 Created on 74 parameter(s) in 1 block(s) - as follows: @@ -6567,7 +6568,7 @@ Inter cycle Rw -5.0 3.8 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 24 serial number 28 Address 129850 Length 168 Created on + Print list type 24 serial number 28 Address 129627 Length 168 Created on @@ -6706,6 +6707,7 @@ ___________ ___________ (3) NO #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -6747,7 +6749,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.25 -0.06 0.18 0.05 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.05 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -6838,6 +6839,7 @@ LS-scale= 1.673 Wilson Scale= 0.000 [91] - = -0.03 100*(-)/ = -0.47 #CYCLENDS #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -7106,8 +7108,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.76 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -7157,15 +7159,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7221,57 +7223,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7353,8 +7355,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -7403,15 +7405,15 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7467,57 +7469,57 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7599,8 +7601,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -7648,15 +7650,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7712,57 +7714,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -7805,7 +7807,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -8169,8 +8170,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -8220,12 +8221,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -8281,57 +8282,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -8413,8 +8414,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -8467,12 +8468,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.019 0.044 [03] Reversals @@ -8528,57 +8529,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -8660,8 +8661,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -8714,12 +8715,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -8775,57 +8776,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -8920,8 +8921,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.49 E-02 2.2 C 4 U[ISO] @@ -8973,12 +8974,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -9034,57 +9035,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9166,8 +9167,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -9218,12 +9219,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -9279,57 +9280,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9411,8 +9412,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -9464,12 +9465,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -9525,57 +9526,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9657,8 +9658,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -9710,12 +9711,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -9771,57 +9772,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9918,8 +9919,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 370.0 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -9982,15 +9983,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 370. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10046,57 +10047,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10178,8 +10179,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 74.0 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -10234,15 +10235,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10298,57 +10299,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -10358,7 +10359,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 22 serial number 11 Address 189087 Length 318 Created on + Print list type 22 serial number 11 Address 188796 Length 318 Created on 74 parameter(s) in 1 block(s) - as follows: @@ -10450,7 +10451,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 24 serial number 44 Address 192689 Length 168 Created on + Print list type 24 serial number 44 Address 192398 Length 168 Created on @@ -10589,6 +10590,7 @@ ___________ ___________ (3) NO #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -10630,7 +10632,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.25 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.03 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -10721,6 +10722,7 @@ LS-scale= 1.605 Wilson Scale= 0.000 [27] - = 0.2 100*(-)/ = 4. #CYCLENDS #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -10989,8 +10991,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.8 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.47 LAYER 1 @@ -11039,15 +11041,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11103,57 +11105,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11235,8 +11237,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -11290,15 +11292,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11354,57 +11356,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11486,8 +11488,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -11537,15 +11539,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11601,57 +11603,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -11694,7 +11696,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -12058,8 +12059,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -12109,12 +12110,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -12170,57 +12171,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -12302,8 +12303,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -12356,12 +12357,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.020 0.044 [03] Reversals @@ -12417,57 +12418,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -12549,8 +12550,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -12603,12 +12604,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -12664,57 +12665,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -12809,8 +12810,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.50 E-02 2.2 C 4 U[ISO] @@ -12862,12 +12863,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -12923,57 +12924,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13055,8 +13056,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -13107,12 +13108,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -13168,57 +13169,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13300,8 +13301,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -13353,12 +13354,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -13414,57 +13415,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13546,8 +13547,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -13599,12 +13600,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -13660,57 +13661,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -13807,8 +13808,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 369.9 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -13871,15 +13872,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 369. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13935,57 +13936,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14067,8 +14068,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 73.9 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -14123,15 +14124,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14187,57 +14188,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14247,7 +14248,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 22 serial number 15 Address 252133 Length 318 Created on + Print list type 22 serial number 15 Address 251551 Length 318 Created on 74 parameter(s) in 1 block(s) - as follows: @@ -14339,7 +14340,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 24 serial number 60 Address 255735 Length 168 Created on + Print list type 24 serial number 60 Address 255153 Length 168 Created on @@ -14478,6 +14479,7 @@ ___________ ___________ (3) NO #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -14519,7 +14521,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.25 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.03 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -14610,6 +14611,7 @@ LS-scale= 1.605 Wilson Scale= 0.000 [27] - = 0.2 100*(-)/ = 4. #CYCLENDS #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -14878,8 +14880,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.7 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.48 LAYER 1 @@ -14928,15 +14930,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14992,57 +14994,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15124,8 +15126,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -15179,15 +15181,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15243,57 +15245,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15375,8 +15377,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -15426,15 +15428,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15490,57 +15492,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GH.org/lexical.out b/test_suite/INW64GH.org/lexical.out index 12c3f2cc6..c0d11080d 100644 --- a/test_suite/INW64GH.org/lexical.out +++ b/test_suite/INW64GH.org/lexical.out @@ -33,10 +33,10 @@ # USE LAST #BONDCALC #LIST 29 -Bonds: Update required - There is no list 41 #BONDCALC # SPACES #LIST 16 +Bonds: Update required - There is no list 41 -- Original input to lexical analyzer: DIST 0.0, 1.0=MEAN CL(1) TO C(2),C(2)TO CL(3 ) , CL( 3 ) TO CL(1) DIST 0.0 ,1.0 = MEAN C -- C C==C C-5- C diff --git a/test_suite/INW64GH.org/neutron.out b/test_suite/INW64GH.org/neutron.out index 734f3484f..4877d4a19 100644 --- a/test_suite/INW64GH.org/neutron.out +++ b/test_suite/INW64GH.org/neutron.out @@ -37,7 +37,6 @@ Space group symbol is P 1 21/N 1 #LIST 3 # HERE IS THE MODEL, NOTE THE SPECIAL SHAPE FOR H(70). #LIST 5 -Bonds: Update required - There is no list 41 #LIST 30 #LIST 13 # READ IN REFLECTIONS @@ -238,6 +237,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #SFLS #SPEC NO NO #SCALE 1 @@ -395,8 +397,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -438,15 +440,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -491,97 +493,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -663,8 +665,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -708,12 +710,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -758,97 +760,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -930,8 +932,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -972,15 +974,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -1025,97 +1027,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1199,8 +1201,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1240,12 +1242,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -1290,97 +1292,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1462,8 +1464,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1507,12 +1509,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -1557,97 +1559,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1729,8 +1731,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1774,12 +1776,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1824,97 +1826,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1996,8 +1998,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -2034,15 +2036,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2087,97 +2089,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2274,8 +2276,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -2331,15 +2333,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2384,97 +2386,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2556,8 +2558,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -2600,15 +2602,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2653,97 +2655,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2828,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -2866,15 +2868,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -2919,97 +2921,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3091,8 +3093,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -3138,12 +3140,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -3188,97 +3190,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3459,11 +3461,11 @@ LS-scale= 0.312 Wilson Scale= 0.000 [91] Q 9. Q 14. 0.465 Deleted 8.1 List now contains 32 atoms -Bonds: Update required - List5 length change #COLLECT #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -3928,7 +3930,6 @@ Bonds: Update required - List5 length change C 6 C 7 C 8 C 9 H 51 H 81 H 82 H 83 H 91 H 92 H 93 H 70 List 5 now contains 19 atom(s) -Bonds: Update required - List5 length change #SFLS #SPEC LIS NO Checking SPECIAL positions subject to tolerance of .60000 Angstrom @@ -4021,8 +4022,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -4061,15 +4062,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4114,97 +4115,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4286,8 +4287,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -4330,15 +4331,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4383,97 +4384,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4555,8 +4556,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -4599,15 +4600,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4652,97 +4653,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -5128,8 +5129,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -5171,15 +5172,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -5224,97 +5225,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5396,8 +5397,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -5441,12 +5442,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -5491,97 +5492,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5663,8 +5664,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -5705,15 +5706,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -5758,97 +5759,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5932,8 +5933,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -5973,12 +5974,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -6023,97 +6024,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6195,8 +6196,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6240,12 +6241,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -6290,97 +6291,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6462,8 +6463,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6507,12 +6508,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6557,97 +6558,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6729,8 +6730,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6767,15 +6768,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6820,97 +6821,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7007,8 +7008,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -7064,15 +7065,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7117,97 +7118,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7289,8 +7290,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -7333,15 +7334,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7386,97 +7387,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7559,8 +7560,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -7599,15 +7600,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7652,97 +7653,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7824,8 +7825,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -7871,12 +7872,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7921,97 +7922,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8192,7 +8193,6 @@ LS-scale= 0.312 Wilson Scale= 0.000 [91] Q 9. Q 14. 0.465 Deleted 8.1 List now contains 32 atoms -Bonds: Update required - List5 length change #COLLECT #DISTANCE @@ -8659,7 +8659,6 @@ Bonds: Update required - List5 length change C 6 C 7 C 8 C 9 H 51 H 81 H 82 H 83 H 91 H 92 H 93 H 70 List 5 now contains 19 atom(s) -Bonds: Update required - List5 length change #SFLS #SPEC LIS NO Checking SPECIAL positions subject to tolerance of .60000 Angstrom @@ -8752,8 +8751,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -8792,15 +8791,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8845,97 +8844,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9017,8 +9016,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -9061,15 +9060,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9114,97 +9113,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9286,8 +9285,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -9330,15 +9329,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9383,97 +9382,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -9838,8 +9837,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -9900,15 +9899,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -9953,97 +9952,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -10125,8 +10124,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -10179,12 +10178,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -10229,97 +10228,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10401,8 +10400,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -10446,12 +10445,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -10496,97 +10495,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10670,8 +10669,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10711,12 +10710,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -10761,97 +10760,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10933,8 +10932,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10975,15 +10974,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11028,97 +11027,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11200,8 +11199,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -11238,15 +11237,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11291,97 +11290,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -11478,8 +11477,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -11538,15 +11537,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -11591,97 +11590,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11763,8 +11762,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -11810,12 +11809,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -11860,97 +11859,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12033,8 +12032,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -12073,15 +12072,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12126,97 +12125,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12298,8 +12297,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -12342,15 +12341,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12395,97 +12394,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12666,9 +12665,9 @@ LS-scale= 0.310 Wilson Scale= 0.000 [91] Q 2. Q 3. 0.308 Deleted 4.5 List now contains 33 atoms -Bonds: Update required - List5 length change #COLLECT #DISTANCE +Bonds: Update required - List5 length change THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -13158,7 +13157,6 @@ Bonds: Update required - List5 length change C 6 C 7 C 8 C 9 H 51 H 81 H 82 H 83 H 91 H 92 H 93 H 70 List 5 now contains 19 atom(s) -Bonds: Update required - List5 length change #SFLS #SPEC LIS NO Checking SPECIAL positions subject to tolerance of .60000 Angstrom @@ -13251,8 +13249,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -13291,15 +13289,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13344,97 +13342,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13516,8 +13514,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -13560,15 +13558,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13613,97 +13611,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13785,8 +13783,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -13829,15 +13827,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13882,97 +13880,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -14337,8 +14335,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -14399,15 +14397,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -14452,97 +14450,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -14624,8 +14622,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -14678,12 +14676,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -14728,97 +14726,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14900,8 +14898,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -14945,12 +14943,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -14995,97 +14993,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15169,8 +15167,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15210,12 +15208,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -15260,97 +15258,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15432,8 +15430,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15474,15 +15472,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15527,97 +15525,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15699,8 +15697,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15737,15 +15735,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15790,97 +15788,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15977,8 +15975,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -16037,15 +16035,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -16090,97 +16088,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16262,8 +16260,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -16309,12 +16307,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -16359,97 +16357,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16532,8 +16530,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -16572,15 +16570,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16625,97 +16623,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16797,8 +16795,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -16841,15 +16839,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16894,97 +16892,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17165,7 +17163,6 @@ LS-scale= 0.310 Wilson Scale= 0.000 [91] Q 2. Q 3. 0.308 Deleted 4.5 List now contains 33 atoms -Bonds: Update required - List5 length change #COLLECT #DISTANCE @@ -17657,7 +17654,6 @@ Bonds: Update required - List5 length change C 6 C 7 C 8 C 9 H 51 H 81 H 82 H 83 H 91 H 92 H 93 H 70 List 5 now contains 19 atom(s) -Bonds: Update required - List5 length change #SFLS #SPEC LIS NO Checking SPECIAL positions subject to tolerance of .60000 Angstrom @@ -17750,8 +17746,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -17790,15 +17786,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17843,97 +17839,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18015,8 +18011,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -18059,15 +18055,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18112,97 +18108,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18284,8 +18280,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -18328,15 +18324,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18381,97 +18377,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GH.org/partial.out b/test_suite/INW64GH.org/partial.out index 1035d4548..1cd13f4be 100644 --- a/test_suite/INW64GH.org/partial.out +++ b/test_suite/INW64GH.org/partial.out @@ -31,7 +31,6 @@ Space group symbol is P 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - There is no list 41 #LIST 23 #USE PARTIAL.HKL #LIST 6 @@ -54,6 +53,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #SFLS #SPEC NO NO #SCALE 1 @@ -363,8 +365,8 @@ LS-scale= 6.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.71E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 5.71E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 6E-04 S/ESD 1 1 -0.192 0.0E+00 0.182E-01 -10.60 SCALE [14] S/ESD 52 52 -0.033 0.0E+00 0.22 E-01 -1.4 C 5 U[33] [14] S/ESD 54 54 -0.013 0.0E+00 0.12 E-01 -1.1 C 5 U[13] @@ -430,12 +432,12 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.028 0.044 +[31] 0.044 0.028 0.044 [70] Maximum 0. 0.00 0.00 0.01 0.01 0.01 0.13 0.05 0.11 0.08 0.03 0.10 -[31] 0.189 0.127 0.136 +[31] 0.189 0.128 0.137 [03] Reversals @@ -480,167 +482,167 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.01 0.01 -[31] 0.030 0.031 0.025 +[31] 0.030 0.031 0.025 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.028 0.039 +[31] 0.033 0.028 0.040 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.029 0.033 +[31] 0.035 0.029 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 -[31] 0.028 0.040 0.043 +[31] 0.028 0.040 0.044 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.025 0.039 +[31] 0.033 0.026 0.040 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.03 -[31] 0.040 0.043 0.031 +[31] 0.041 0.044 0.032 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.036 0.025 0.049 +[31] 0.036 0.025 0.050 [37] C 13. 1.00 0.00 -0.16 -0.29 0.04 0.65 [37] 0.00 0.01 -0.01 0.00 0.13 0.05 0.00 -0.01 0.02 -0.10 [37] 0.00 0.00 0.00 0.00 0.10 0.08 0.03 0.04 0.05 0.08 -[31] 0.083 0.063 0.052 +[31] 0.083 0.064 0.052 [37] C 14. 1.00 0.00 -0.34 0.00 -0.11 0.12 [37] 0.00 0.00 0.00 -0.01 0.00 0.02 0.11 -0.08 0.03 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.07 0.06 0.04 0.03 -[31] 0.047 0.053 0.074 +[31] 0.048 0.053 0.075 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.13 [37] 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.040 0.027 0.049 +[31] 0.040 0.028 0.050 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.024 +[31] 0.028 0.022 0.025 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.021 +[31] 0.022 0.017 0.021 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.016 0.022 +[31] 0.022 0.017 0.022 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.017 0.021 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.022 0.018 0.025 +[31] 0.022 0.018 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -[31] 0.023 0.018 0.027 +[31] 0.023 0.018 0.027 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.017 0.023 +[31] 0.022 0.017 0.024 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.016 0.020 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.016 0.021 +[31] 0.021 0.017 0.021 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.025 0.022 0.025 +[31] 0.025 0.023 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.025 0.023 0.024 +[31] 0.026 0.024 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.026 0.031 +[31] 0.028 0.026 0.032 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.028 0.024 0.032 +[31] 0.028 0.024 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.024 0.033 +[31] 0.033 0.025 0.034 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.023 0.028 +[31] 0.030 0.023 0.029 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.027 0.019 0.032 +[31] 0.028 0.020 0.032 [37] C 122. 1.00 0.00 0.26 0.31 -0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.024 0.018 0.026 +[31] 0.025 0.019 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.024 0.029 +[31] 0.030 0.024 0.030 [37] C 124. 1.00 0.00 0.54 -0.54 0.58 0.14 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.03 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.023 0.036 +[31] 0.033 0.023 0.036 [37] O 109. 1.00 0.00 0.50 -0.41 0.58 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.014 0.019 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.014 +[31] 0.016 0.012 0.015 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.019 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.043 0.091 0.464 0.199 0.122 0.977 Might be split @@ -728,8 +730,8 @@ LS-scale= 6.236 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.30E-04 +[80a] Block No 1. Single precision relative error: 8E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8E-04 S/ESD 1 1 0.022 -0.1E+00 0.160E-01 1.36 SCALE [14a] LARGE 77 77 0.060 0.4E+00 0.10 E+00 0.5 C 13 U[11] [14] S/ESD 230 230 0.011 -0.5E+00 0.97 E-02 1.1 C 120 U[11] @@ -776,12 +778,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.011 0.009 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.06 0.03 0.02 0.01 0.01 0.04 -[31] 0.053 0.032 0.055 +[31] 0.053 0.032 0.055 [03] Reversals @@ -826,167 +828,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.028 0.021 +[31] 0.028 0.028 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.027 0.039 +[31] 0.033 0.027 0.039 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.030 0.033 +[31] 0.036 0.030 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 -[31] 0.026 0.038 0.038 +[31] 0.026 0.038 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.022 0.031 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.029 +[31] 0.038 0.042 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.023 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.71 [37] 0.00 0.00 0.00 0.00 0.06 0.03 0.00 0.00 0.00 -0.04 [37] 0.00 0.00 0.00 0.00 0.10 0.07 0.02 0.03 0.04 0.08 -[31] 0.084 0.061 0.047 +[31] 0.084 0.061 0.047 [37] C 14. 1.00 0.00 -0.34 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.08 0.06 0.04 0.03 -[31] 0.043 0.050 0.074 +[31] 0.043 0.051 0.074 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.046 +[31] 0.038 0.026 0.046 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.020 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.019 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.023 0.029 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.030 +[31] 0.027 0.022 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.031 +[31] 0.032 0.022 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.027 0.018 0.031 +[31] 0.027 0.019 0.031 [37] C 122. 1.00 0.00 0.26 0.31 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.017 0.026 +[31] 0.023 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.020 0.027 +[31] 0.028 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.15 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.033 0.020 0.037 +[31] 0.034 0.020 0.037 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.094 0.446 0.197 0.128 0.835 Might be split @@ -1074,8 +1076,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.06E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9.06E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1119,12 +1121,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.005 +[31] 0.005 0.003 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 -[31] 0.019 0.013 0.016 +[31] 0.020 0.013 0.017 [03] Reversals @@ -1169,167 +1171,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.028 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.028 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.038 0.039 +[31] 0.025 0.038 0.040 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.023 0.033 +[31] 0.030 0.024 0.034 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.042 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.047 +[31] 0.035 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.063 0.048 +[31] 0.088 0.064 0.048 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.04 0.03 -[31] 0.046 0.051 0.078 +[31] 0.046 0.051 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.026 0.047 +[31] 0.039 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.016 0.022 +[31] 0.021 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.026 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.022 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.022 0.032 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.021 0.026 +[31] 0.027 0.021 0.026 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.021 0.039 +[31] 0.035 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.049 0.095 0.447 0.197 0.128 0.859 Might be split @@ -1417,8 +1419,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.99E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.99E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1459,15 +1461,15 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.004 +[31] 0.002 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -[31] 0.006 0.005 0.018 +[31] 0.007 0.006 0.018 [03] Reversals @@ -1512,167 +1514,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.027 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.029 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.025 0.038 0.038 +[31] 0.025 0.039 0.039 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.023 0.032 +[31] 0.030 0.024 0.033 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.041 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.12 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.064 0.048 +[31] 0.089 0.064 0.049 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.046 0.052 0.080 +[31] 0.047 0.052 0.080 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.027 0.046 +[31] 0.040 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.025 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.022 0.024 +[31] 0.025 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.031 +[31] 0.028 0.022 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.021 0.031 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.021 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.036 0.021 0.041 +[31] 0.036 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.095 0.445 0.197 0.128 0.837 Might be split @@ -1687,7 +1689,7 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 23 serial number 3 Address 35149 Length 78 Created on + Print list type 23 serial number 3 Address 33947 Length 78 Created on @@ -2418,8 +2420,8 @@ LS-scale= 6.259 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.90E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.90E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2459,12 +2461,12 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.005 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.00 -[31] 0.015 0.009 0.009 +[31] 0.016 0.009 0.009 [03] Reversals @@ -2509,167 +2511,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.025 0.034 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.037 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.031 +[31] 0.029 0.023 0.032 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.01 0.02 0.01 -[31] 0.033 0.022 0.046 +[31] 0.033 0.023 0.046 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.045 0.049 0.076 +[31] 0.046 0.050 0.077 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.038 0.026 0.044 +[31] 0.038 0.026 0.045 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.025 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.023 0.021 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.022 0.027 +[31] 0.025 0.023 0.027 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.026 0.021 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.030 +[31] 0.031 0.021 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.025 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.020 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.825 Might be split @@ -2757,8 +2759,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.76E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.76E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2799,15 +2801,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.011 +[31] 0.005 0.003 0.011 [03] Reversals @@ -2852,167 +2854,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.034 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.037 0.037 +[31] 0.024 0.037 0.037 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.030 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.046 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.020 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.833 Might be split @@ -3100,8 +3102,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.95E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.95E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3142,15 +3144,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.004 0.002 0.005 [03] Reversals @@ -3195,167 +3197,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.029 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.062 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.047 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split @@ -3443,8 +3445,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.77E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.77E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3481,15 +3483,15 @@ All cycle Rw 0.0 15. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.002 0.005 [03] Reversals @@ -3534,167 +3536,167 @@ All cycle Rw 0.0 15. 0.10E+03 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.037 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.046 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.10 0.06 0.05 0.03 -[31] 0.047 0.048 0.078 +[31] 0.047 0.049 0.079 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.021 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split @@ -3709,7 +3711,7 @@ All cycle Rw 0.0 15. 0.10E+03 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 23 serial number 4 Address 35149 Length 78 Created on + Print list type 23 serial number 4 Address 33947 Length 78 Created on diff --git a/test_suite/INW64GH.org/regtest.out b/test_suite/INW64GH.org/regtest.out index 5ef287af9..cef98752c 100644 --- a/test_suite/INW64GH.org/regtest.out +++ b/test_suite/INW64GH.org/regtest.out @@ -2,6 +2,7 @@ #SET PRINT OFF #TITLE TEST 1 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -100,7 +101,6 @@ Summary of Deviations List 5 now contains 21 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 21 atoms @@ -136,9 +136,9 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 20 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 2 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -270,7 +270,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 26 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 26 atoms @@ -311,6 +310,7 @@ Bonds: Update required - List5 length change #SET PRINT OFF #TITLE TEST 3 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -409,7 +409,6 @@ Summary of Deviations List 5 now contains 21 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 21 atoms @@ -445,9 +444,9 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 20 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 4 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -579,7 +578,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 26 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 26 atoms @@ -621,6 +619,7 @@ Bonds: Update required - List5 length change #SET PRINT OFF #TITLE TEST 5 #REGULAR AUGMENT +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -719,7 +718,6 @@ Summary of Deviations List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -750,7 +748,6 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 15 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 6 #REGULAR AUGMENT Input: mapping 6 atoms onto 6 @@ -884,7 +881,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1013,7 +1009,6 @@ Summary of Deviations List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1044,7 +1039,6 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 15 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 8 #REGULAR REPLACE Input: mapping 6 atoms onto 6 @@ -1178,7 +1172,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1308,7 +1301,6 @@ Summary of Deviations List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1339,7 +1331,6 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 15 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 10 #REGULAR REPLACE Input: mapping 6 atoms onto 6 @@ -1473,7 +1464,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1602,7 +1592,6 @@ Summary of Deviations List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1633,7 +1622,6 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 15 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 12 #REGULAR REPLACE Input: mapping 6 atoms onto 6 @@ -1767,7 +1755,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1930,7 +1917,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part Uiso Size D/100 A/100 diff --git a/test_suite/INW64GH.org/regular.out b/test_suite/INW64GH.org/regular.out index dacc0716c..24ad699e0 100644 --- a/test_suite/INW64GH.org/regular.out +++ b/test_suite/INW64GH.org/regular.out @@ -31,9 +31,11 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - There is no list 41 #LIST 30 #USE REGU.DAT +#EDIT +#BONDCALC +Bonds: Update required - There is no list 41 #EDIT The list currently contains 68 atoms S 1 N 1 N 2 C 1 C 2 C 3 C 4 @@ -487,7 +489,6 @@ Space group symbol is P 1 21/N 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -1002,7 +1003,6 @@ Space group symbol is P 1 21 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -1524,7 +1524,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -1937,7 +1936,6 @@ Space group symbol is P 21 21 21 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -2609,7 +2607,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -3226,7 +3223,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -3568,7 +3564,6 @@ Space group symbol is P 1 21/N 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -3993,7 +3988,6 @@ Space group symbol is P 1 21 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -4896,7 +4890,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -5309,7 +5302,6 @@ Space group symbol is P 21 21 21 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -5817,7 +5809,6 @@ Space group symbol is P B C A #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -6261,7 +6252,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -6765,7 +6755,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -6826,7 +6815,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -6927,7 +6915,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -7634,7 +7621,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -7691,7 +7677,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -8086,7 +8071,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -9089,7 +9073,6 @@ Space group symbol is P N A 21 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT diff --git a/test_suite/INW64GH.org/restrain.out b/test_suite/INW64GH.org/restrain.out index 91b7ed295..01852d556 100644 --- a/test_suite/INW64GH.org/restrain.out +++ b/test_suite/INW64GH.org/restrain.out @@ -10,7 +10,6 @@ # OF C AND O INTERCHANGED AND EXPANDED # #LIST 29 -Bonds: Update required - There is no list 41 #LIST 12 #LIST 23 #LIST 16 @@ -22,6 +21,9 @@ Bonds: Update required - There is no list 41 Refining 21 parameters in 4 block : 148 elements in the LS matrix. Space required on DISK is 1 records, 2 Blocks, 1 Kbytes. #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #CHECK #LIST 16 @@ -1601,7 +1603,6 @@ Space group symbol is P 1 21/C 1 Y axis from 0.000 to 0.500 Z axis from 0.000 to 0.500 #LIST 5 -Bonds: Update required - List5 length change #LIST 12 #LIST 16 #CHECK @@ -1620,104 +1621,104 @@ Refining 1 parameters in 1 block : 19 elements in the LS matrix. 0 COMPILER 1 EXECUT - Listing of the code chain. Chain base = 779 Data base =16777216 Control block : 7791677697216777216 - 0 779 779 12 -1000779 -1000000 -1000000 0 6 789 -243 0 - Work stack header at 785 : -1000000 6 -244 0 -1000000 0 - Function at 779 : 10 executioN + Listing of the code chain. Chain base = 880 Data base =16777216 Control block : 8801677697216777216 + 0 880 880 12 -1000880 -1000000 -1000000 0 6 890 -243 0 + Work stack header at 886 : -1000000 6 -244 0 -1000000 0 + Function at 880 : 10 executioN 2 SUM LAYER SCALES - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1026 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 LAYER - Overall parameter header at 816 : -1000000 2 2 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1026 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 LAYER + Overall parameter header at 917 : -1000000 2 2 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 3 SUM ELEMENT SCALES - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1027 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 ELEMENT - Overall parameter header at 816 : -1000000 3 1 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1027 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 ELEMENT + Overall parameter header at 917 : -1000000 3 1 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 4 SUM BATCH SCALES - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1028 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 BATCH - Overall parameter header at 816 : -1000000 4 2 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1028 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 BATCH + Overall parameter header at 917 : -1000000 4 2 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 5 SUM X - Listing of the code chain. Chain base = 783 Data base =16777216 Control block : 7831677697216777216 - 0 783 783 55 12 -999217 -1000000 1 6 793 -287 0 - Work stack header at 789 : -1000000 6 -244 44 -1000000 0 - Atom header at 795 : 29 1024 FIRS 0. 3 46 1 1 0 0 0 + Listing of the code chain. Chain base = 884 Data base =16777216 Control block : 8841677697216777216 + 0 884 884 55 12 -999116 -1000000 1 6 894 -287 0 + Work stack header at 890 : -1000000 6 -244 44 -1000000 0 + Atom header at 896 : 29 1024 FIRS 0. 3 46 1 1 0 0 0 -1000000 -1000000 -1000000 -265 -287 - 829 : 49 5 X - 832 : 52 6 Y - 835 : -1000000 7 Z - Atom header at 812 : -1000000 0 LAST 0. -1000000 -1000000 1 1 0 0 0 + 930 : 49 5 X + 933 : 52 6 Y + 936 : -1000000 7 Z + Atom header at 913 : -1000000 0 LAST 0. -1000000 -1000000 1 1 0 0 0 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 783 : 15 sum + Function at 884 : 15 sum 6 SUM CELL PARAMETERS - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1029 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 CELL - Overall parameter header at 816 : -1000000 5 2 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1029 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 CELL + Overall parameter header at 917 : -1000000 5 2 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 7 SUM PROFILE(1) PROFILE(2) PROFILE(3) - Listing of the code chain. Chain base = 827 Data base =16777216 Control block : 8271677697216777216 - 0 827 827 63 12 -999173 -1000000 3 6 837 -5321 0 - Work stack header at 833 : -1000000 6 -244 5078 -1000000 0 - Overall parameter header at 839 : 29 6 1 1 19 - -1000000 -1000000 -1000000 -1073 -1903 - 846 : -1000000 1 PROFILE - Overall parameter header at 856 : 46 6 2 1 36 - -1000000 -1000000 -1000000 -2749 -3595 - 863 : -1000000 2 PROFILE - Overall parameter header at 873 : -1000000 6 3 1 53 - -1000000 -1000000 -1000000 -4458 -5321 - 880 : -1000000 3 PROFILE - Function at 827 : 15 sum + Listing of the code chain. Chain base = 928 Data base =16777216 Control block : 9281677697216777216 + 0 928 928 63 12 -999072 -1000000 3 6 938 -5927 0 + Work stack header at 934 : -1000000 6 -244 5684 -1000000 0 + Overall parameter header at 940 : 29 6 1 1 19 + -1000000 -1000000 -1000000 -1174 -2105 + 947 : -1000000 1 PROFILE + Overall parameter header at 957 : 46 6 2 1 36 + -1000000 -1000000 -1000000 -3052 -3999 + 964 : -1000000 2 PROFILE + Overall parameter header at 974 : -1000000 6 3 1 53 + -1000000 -1000000 -1000000 -4963 -5927 + 981 : -1000000 3 PROFILE + Function at 928 : 15 sum 8 SUM PROFILE PARAMETERS - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1030 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 PROFILE - Overall parameter header at 816 : -1000000 6 3 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1030 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 PROFILE + Overall parameter header at 917 : -1000000 6 3 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 9 SUM EXTINCTION PARAMETERS - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1031 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 EXTINCTI - Overall parameter header at 816 : -1000000 7 2 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1031 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 EXTINCTI + Overall parameter header at 917 : -1000000 7 2 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum #CHECK @@ -1740,10 +1741,10 @@ Refining 1 parameters in 1 block : 19 elements in the LS matrix. Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6151677697216777216 - 564 -999436 787 46 576 -999213 -1000000 2 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 2 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 593 2 1 1 583 - 31 500 -1000000 16776183 16775393 + 31 500 -1000000 16776082 16775191 583 : -999436 1 LAYER Overall parameter header at 593 : -999436 2 2 1 612 32 500 -1000000 611 610 @@ -1762,10 +1763,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6101677697216777216 - 564 -999436 787 46 576 -999213 -1000000 1 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 1 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : -999436 1027 1 1 583 - 41 503 -1000000 16776183 16775393 + 41 503 -1000000 16776082 16775191 583 : -999436 -1000000 ELEMENT Function at 564 : 15 sum 1.3000 @@ -1780,10 +1781,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6151677697216777216 - 564 -999436 787 46 576 -999213 -1000000 2 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 2 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 593 4 1 1 583 - 50 506 -1000000 16776183 16775393 + 50 506 -1000000 16776082 16775191 583 : -999436 1 BATCH Overall parameter header at 593 : -999436 4 2 1 612 51 506 -1000000 611 610 @@ -1805,7 +1806,7 @@ ___________ C 2. 1.00000 1.00000 0.20000 0.30000 0.40000 0.05000 0.00000 0.00000 0.00000 0.00000 0.00000 Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6721677697216777216 - 564 -999436 783 55 576 -999217 -1000000 2 570 793 16776928 0 + 564 -999436 884 55 576 -999116 -1000000 2 570 894 16776928 0 Work stack header at 570 : -1000000 6 -244 44 -999436 0 Atom header at 576 : 593 0 C 1. 3 610 1 1 0 0 0 91 4941065353216 16776951 16776929 @@ -1831,10 +1832,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6151677697216777216 - 564 -999436 787 46 576 -999213 -1000000 2 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 2 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 593 5 1 1 583 - 60 509 -1000000 16776183 16775393 + 60 509 -1000000 16776082 16775191 583 : -999436 1 CELL Overall parameter header at 593 : -999436 5 2 1 612 61 509 -1000000 611 610 @@ -1853,16 +1854,16 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6271677697216777216 - 564 -999436 827 63 576 -999173 -1000000 3 570 837 16771894 0 - Work stack header at 570 : -1000000 6 -244 5078 -999436 0 + 564 -999436 928 63 576 -999072 -1000000 3 570 938 16771288 0 + Work stack header at 570 : -1000000 6 -244 5684 -999436 0 Overall parameter header at 576 : 593 6 1 1 583 - 70 512 -1000000 16776143 16775313 + 70 512 -1000000 16776042 16775111 583 : -999436 1 PROFILE Overall parameter header at 593 : 610 6 2 1 600 - 71 512 -1000000 16774467 16773621 + 71 512 -1000000 16774164 16773217 600 : -999436 2 PROFILE Overall parameter header at 610 : -999436 6 3 1 617 - 72 512 -1000000 16772758 16771895 + 72 512 -1000000 16772253 16771289 617 : -999436 3 PROFILE Function at 564 : 15 sum 1.6000 @@ -1879,10 +1880,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6371677697216777216 - 564 -999436 787 46 576 -999213 -1000000 3 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 3 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 610 6 1 1 583 - 70 512 -1000000 16776183 16775393 + 70 512 -1000000 16776082 16775191 583 : -999436 1 PROFILE Overall parameter header at 610 : 593 6 2 1 629 71 512 -1000000 628 627 @@ -1905,10 +1906,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6151677697216777216 - 564 -999436 787 46 576 -999213 -1000000 2 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 2 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 593 7 1 1 583 - 81 515 -1000000 16776183 16775393 + 81 515 -1000000 16776082 16775191 583 : -999436 1 EXTINCTI Overall parameter header at 593 : -999436 7 2 1 612 82 515 -1000000 611 610 @@ -1927,7 +1928,7 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 5761677697216777216 - 564 -999436 987 12 -1000423 -1000000 -1000000 0 570 997 16776972 0 + 564 -999436 1088 12 -1000524 -1000000 -1000000 0 570 1098 16776972 0 Work stack header at 570 : -1000000 6 -244 0 -999436 0 Function at 564 : 11 Nolist ___________ diff --git a/test_suite/INW64GH.org/sgd464.out b/test_suite/INW64GH.org/sgd464.out index 0602ee601..34410a1db 100644 --- a/test_suite/INW64GH.org/sgd464.out +++ b/test_suite/INW64GH.org/sgd464.out @@ -52,8 +52,8 @@ Refining 263 parameters in 1 block : 35258 elements in the LS matrix. #LIST 26 #BONDCALC #LIST 29 -Bonds: Update required - There is no list 41 #BONDCALC +Bonds: Update required - There is no list 41 #LIST 26 #CHECK HI @@ -172,10 +172,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.7 0.0E+00 0.2 E+01 -0.3 ENANTIO [14] S/ESD 6 6 -0.018 0.0E+00 0.11 E-01 -1.7 CL 1 U[11] [14] S/ESD 24 24 0.021 0.0E+00 0.19 E-01 1.1 CL 3 U[11] @@ -218,15 +218,15 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [38] Mean -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.05 0.02 0.01 0.01 -[31] 0.010 0.016 0.015 +[31] 0.011 0.016 0.015 [03] Reversals @@ -271,147 +271,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.028 +[31] 0.030 0.030 0.028 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.099 0.096 0.090 +[31] 0.099 0.097 0.091 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.05 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.02 0.01 -[31] 0.040 0.040 0.052 +[31] 0.040 0.041 0.052 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.01 [37] 0.00 0.00 0.00 0.00 0.04 0.01 0.01 0.01 0.02 0.02 -[31] 0.049 0.044 0.035 +[31] 0.050 0.044 0.035 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.040 0.048 0.037 +[31] 0.040 0.049 0.038 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.061 0.054 +[31] 0.058 0.061 0.054 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.058 0.058 +[31] 0.060 0.059 0.059 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.043 0.044 +[31] 0.044 0.043 0.045 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.03 0.02 0.02 0.02 -[31] 0.068 0.061 0.064 +[31] 0.068 0.062 0.064 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.041 0.048 0.040 +[31] 0.042 0.049 0.040 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.060 0.061 0.061 +[31] 0.061 0.061 0.062 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.048 +[31] 0.049 0.053 0.049 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.062 0.055 +[31] 0.059 0.062 0.055 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.064 0.068 0.063 +[31] 0.065 0.069 0.063 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.045 0.045 0.045 +[31] 0.046 0.046 0.046 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.060 0.067 0.062 +[31] 0.061 0.067 0.063 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.061 0.066 0.060 +[31] 0.061 0.067 0.061 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.03 0.02 0.03 -[31] 0.066 0.075 0.068 +[31] 0.066 0.076 0.068 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.081 0.086 0.075 +[31] 0.082 0.086 0.075 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.078 0.086 0.073 +[31] 0.078 0.087 0.074 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.081 0.079 0.088 +[31] 0.082 0.079 0.088 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.065 0.069 0.070 +[31] 0.066 0.069 0.070 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.08 0.03 0.04 0.02 0.04 -[31] 0.076 0.110 0.069 +[31] 0.076 0.111 0.069 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.02 0.03 0.02 0.03 -[31] 0.067 0.081 0.061 +[31] 0.068 0.081 0.062 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.03 0.03 0.02 0.03 -[31] 0.068 0.076 0.074 +[31] 0.069 0.076 0.074 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.05 0.04 0.04 0.03 0.04 -[31] 0.073 0.098 0.078 +[31] 0.073 0.099 0.079 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.02 0.03 -[31] 0.077 0.093 0.066 +[31] 0.077 0.094 0.067 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.03 0.03 0.03 0.04 -[31] 0.089 0.087 0.074 +[31] 0.090 0.088 0.075 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.04 -[31] 0.077 0.091 0.071 +[31] 0.077 0.092 0.072 [84] Mean C-C su = 0.07 #CYCLENDS #SFLS @@ -495,10 +495,10 @@ LS-scale= 0.437 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+00 0.2 E+00 0.3 ENANTIO [14] S/ESD 24 24 0.010 0.5E+00 0.23 E-02 4.2 CL 3 U[11] [14] S/ESD 26 26 0.011 -0.2E+00 0.32 E-02 3.4 CL 3 U[33] @@ -538,15 +538,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.008 [03] Reversals @@ -591,147 +591,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -815,10 +815,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.6E+00 0.2 E+00 -0.2 ENANTIO for 263 parameters @@ -856,15 +856,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -909,147 +909,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1133,10 +1133,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -1177,12 +1177,12 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1227,147 +1227,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1451,10 +1451,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.94E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.94E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -1492,15 +1492,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1545,147 +1545,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -1703,16 +1703,16 @@ ___________ Atom CL(1), basis: CL(1),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.0 Uc[2,3]==0 Atom CL(3), basis: CL(3),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom CL(4), basis: CL(4),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -1872,8 +1872,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.81E-04 +[80a] Block No 1. Single precision relative error: 10E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 10E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+00 -0.2 ENANTIO [14] S/ESD 168 168 -0.011 0.0E+00 0.89 E-02 -1.2 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.75 E-02 1.8 C 19 U[33] @@ -1918,12 +1918,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.011 0.013 0.015 +[31] 0.011 0.013 0.016 [03] Reversals @@ -1968,147 +1968,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.021 0.020 0.019 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.010 +[31] 0.008 0.008 0.011 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.007 +[31] 0.010 0.009 0.007 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.013 +[31] 0.014 0.013 0.013 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.014 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.018 0.016 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.018 0.015 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.018 +[31] 0.017 0.016 0.018 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.022 0.014 +[31] 0.016 0.023 0.014 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.014 0.017 0.013 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.016 +[31] 0.015 0.020 0.016 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.019 0.014 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.015 +[31] 0.018 0.018 0.015 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.014 +[31] 0.016 0.019 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2192,10 +2192,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.15E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2.15E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -2233,15 +2233,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -2286,147 +2286,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2510,8 +2510,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.05E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.05E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 0.4E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -2552,12 +2552,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2602,147 +2602,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2826,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.07E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 -0.0 -0.5E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -2865,15 +2865,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2918,147 +2918,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3142,8 +3142,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.14E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.14E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 -0.2E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -3184,12 +3184,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.004 +[31] 0.002 0.004 0.004 [03] Reversals @@ -3234,147 +3234,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -3392,12 +3392,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -3557,10 +3557,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.73E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.23E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.23E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.11 E-01 1.1 C 19 U[33] [14] S/ESD 213 213 0.015 0.0E+00 0.80 E-02 1.8 C 24 U[11] @@ -3604,12 +3604,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.015 +[31] 0.011 0.014 0.015 [03] Reversals @@ -3654,147 +3654,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.029 +[31] 0.032 0.031 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.014 0.011 +[31] 0.016 0.015 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.019 0.019 0.019 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.020 +[31] 0.022 0.020 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.013 +[31] 0.013 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.015 +[31] 0.016 0.017 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.020 +[31] 0.020 0.022 0.020 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.019 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.025 0.022 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.028 0.024 +[31] 0.026 0.028 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.028 0.024 +[31] 0.025 0.028 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.025 0.028 +[31] 0.027 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.022 +[31] 0.021 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.024 0.036 0.022 +[31] 0.025 0.036 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.022 0.026 0.020 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.024 0.024 +[31] 0.022 0.025 0.024 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.025 +[31] 0.024 0.032 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.025 0.030 0.021 +[31] 0.025 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.028 0.024 +[31] 0.029 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.023 +[31] 0.025 0.030 0.023 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -3878,10 +3878,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.83E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.41E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.41E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -3922,12 +3922,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -3972,147 +3972,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4196,10 +4196,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.38E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.38E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.5E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4237,15 +4237,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.005 +[31] 0.003 0.003 0.005 [03] Reversals @@ -4290,147 +4290,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4514,10 +4514,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.90E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.55E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.55E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -4555,15 +4555,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -4608,147 +4608,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4832,10 +4832,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.82E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.39E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.39E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4876,12 +4876,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -4926,147 +4926,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -5084,12 +5084,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.0 Uc[2,3]=0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.0 Uc[2,3]=0 ___________ (1) NO ___________ @@ -5271,10 +5271,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.59E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.96E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.96E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 234 234 -0.022 0.0E+00 0.42 E-02 -5.2 C 26 U[23] [14] S/ESD 252 252 0.013 0.0E+00 0.38 E-02 3.4 C 28 U[23] @@ -5318,12 +5318,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.02 0.00 0.01 -[31] 0.009 0.013 0.015 +[31] 0.010 0.013 0.016 [03] Reversals @@ -5368,147 +5368,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.071 0.069 0.065 +[31] 0.072 0.070 0.066 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.03 0.01 0.01 0.01 -[31] 0.028 0.029 0.037 +[31] 0.029 0.029 0.038 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.02 -[31] 0.035 0.032 0.025 +[31] 0.036 0.032 0.025 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.035 0.027 +[31] 0.029 0.035 0.027 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.044 0.039 +[31] 0.042 0.044 0.039 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.042 0.042 +[31] 0.043 0.042 0.042 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.031 0.032 +[31] 0.032 0.031 0.032 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.049 0.044 0.046 +[31] 0.049 0.044 0.046 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.035 0.029 +[31] 0.030 0.035 0.029 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.044 0.044 +[31] 0.044 0.044 0.045 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.038 0.035 +[31] 0.035 0.038 0.035 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.045 0.039 +[31] 0.043 0.045 0.040 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.046 0.049 0.045 +[31] 0.047 0.050 0.046 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.033 +[31] 0.033 0.033 0.033 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.048 0.045 +[31] 0.044 0.048 0.045 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.044 0.048 0.043 +[31] 0.044 0.048 0.044 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.054 0.049 +[31] 0.048 0.055 0.049 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.062 0.054 +[31] 0.059 0.062 0.055 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.056 0.062 0.053 +[31] 0.057 0.063 0.053 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.057 0.063 +[31] 0.059 0.057 0.064 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.047 0.050 0.050 +[31] 0.048 0.050 0.051 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.03 -[31] 0.055 0.080 0.049 +[31] 0.055 0.080 0.050 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.00 0.00 -[31] 0.048 0.058 0.044 +[31] 0.049 0.059 0.045 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.049 0.054 0.053 +[31] 0.050 0.055 0.054 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.052 0.071 0.056 +[31] 0.053 0.071 0.057 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.01 0.00 -[31] 0.055 0.067 0.048 +[31] 0.056 0.068 0.048 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.00 0.01 0.00 -[31] 0.064 0.063 0.054 +[31] 0.065 0.063 0.054 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.055 0.066 0.052 +[31] 0.056 0.066 0.052 [84] Mean C-C su = 0.05 #CYCLENDS #SFLS @@ -5592,10 +5592,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.48E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.75E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.75E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.2 ENANTIO for 263 parameters @@ -5636,12 +5636,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.006 +[31] 0.006 0.005 0.007 [03] Reversals @@ -5686,147 +5686,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5910,10 +5910,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.56E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.92E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.92E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -5951,15 +5951,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -6004,147 +6004,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6228,10 +6228,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.54E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.86E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.86E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6272,12 +6272,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -6322,147 +6322,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.008 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6546,10 +6546,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.27E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.27E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.8E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6587,15 +6587,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -6640,147 +6640,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.009 +[31] 0.010 0.014 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -6798,34 +6798,34 @@ ___________ Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.0 Ul_13 = 0.0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-07 0E+00 3E-07 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 3E-07 0E+00 3E-07 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.0 Ul_13 = 0.0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-06 0E+00 7E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 7E-06 0E+00 7E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_13 = 0.0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.0 Ul_13 = 0.0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_13 = 0.0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.0 Ul_13 = 0.0 ___________ (1) NO ___________ @@ -6987,8 +6987,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3.35E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.2 E+00 -0.4 ENANTIO [14] S/ESD 168 168 -0.010 0.0E+00 0.53 E-02 -2.0 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.45 E-02 2.9 C 19 U[33] @@ -7034,12 +7034,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.016 +[31] 0.010 0.013 0.017 [03] Reversals @@ -7084,147 +7084,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7308,8 +7308,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -7347,15 +7347,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.004 0.006 [03] Reversals @@ -7400,147 +7400,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7624,8 +7624,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4.40E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -7663,15 +7663,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -7716,147 +7716,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7940,8 +7940,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.3E+01 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -7979,15 +7979,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -8032,147 +8032,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8256,8 +8256,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -8298,12 +8298,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8348,147 +8348,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -8506,14 +8506,14 @@ ___________ Atom C(7), basis: C(7),C(9) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 Atom C(9), basis: C(9),C(11) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 ___________ (1) NO ___________ @@ -8690,8 +8690,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.85E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.85E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 213 213 0.021 0.0E+00 0.64 E-03 32.9 C 24 U[11] [14] S/ESD 232 232 -0.022 0.0E+00 0.65 E-03 -34.8 C 26 U[22] @@ -8735,12 +8735,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.00 0.01 -[31] 0.012 0.016 0.015 +[31] 0.012 0.016 0.015 [03] Reversals @@ -8785,147 +8785,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.019 0.018 +[31] 0.019 0.020 0.018 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.03 -[31] 0.064 0.062 0.058 +[31] 0.064 0.062 0.059 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.025 0.026 0.033 +[31] 0.026 0.026 0.034 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.031 0.028 0.022 +[31] 0.032 0.029 0.023 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.031 0.024 +[31] 0.026 0.032 0.024 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.037 0.039 0.034 +[31] 0.038 0.040 0.035 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.037 0.037 +[31] 0.038 0.038 0.038 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.027 0.028 +[31] 0.028 0.028 0.029 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.039 0.041 +[31] 0.044 0.040 0.041 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.031 0.026 +[31] 0.027 0.031 0.026 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.039 0.039 0.039 +[31] 0.039 0.039 0.040 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.034 0.031 +[31] 0.032 0.034 0.032 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.040 0.035 +[31] 0.038 0.040 0.036 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.041 0.044 0.040 +[31] 0.042 0.044 0.041 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.030 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.040 +[31] 0.039 0.043 0.041 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.039 +[31] 0.039 0.043 0.039 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.048 0.044 +[31] 0.043 0.049 0.044 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.052 0.055 0.048 +[31] 0.052 0.056 0.049 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.050 0.055 0.047 +[31] 0.051 0.056 0.048 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.052 0.051 0.056 +[31] 0.053 0.051 0.057 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.044 0.045 +[31] 0.043 0.045 0.045 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.02 -[31] 0.049 0.071 0.044 +[31] 0.049 0.071 0.044 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.043 0.052 0.039 +[31] 0.044 0.052 0.040 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.044 0.048 0.047 +[31] 0.044 0.049 0.048 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.047 0.063 0.050 +[31] 0.047 0.063 0.051 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.060 0.043 +[31] 0.050 0.060 0.043 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.057 0.056 0.048 +[31] 0.058 0.057 0.048 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.059 0.046 +[31] 0.050 0.059 0.046 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -9009,8 +9009,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9051,12 +9051,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.006 [03] Reversals @@ -9101,147 +9101,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9325,8 +9325,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 0.6E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9364,15 +9364,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [03] Reversals @@ -9417,147 +9417,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9641,8 +9641,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.2E+02 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -9680,15 +9680,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.003 [03] Reversals @@ -9733,147 +9733,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9957,8 +9957,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.81E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.81E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -9996,15 +9996,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -10049,147 +10049,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -10208,28 +10208,28 @@ CONT C(26) TO C(27) TO C(28) Atom C(24), basis: C(24),C(25),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.0 U13_local - == 0 Atom C(25), basis: C(25),C(26),C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.0 U13_local - == 0 Atom C(26), basis: C(26),C(27),C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.0 U13_local - == 0 ___________ (1) NO ___________ @@ -10397,10 +10397,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.98E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.69E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.69E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 9 9 -0.012 0.0E+00 0.49 E-02 -2.5 CL 1 U[23] @@ -10442,12 +10442,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.011 0.012 0.018 +[31] 0.011 0.012 0.018 [03] Reversals @@ -10492,147 +10492,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.024 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.045 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -10716,10 +10716,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.4E+00 0.3 E+00 0.1 ENANTIO for 263 parameters @@ -10760,12 +10760,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -10810,147 +10810,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.017 0.017 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.007 0.007 0.009 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.006 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.007 0.009 0.007 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.012 0.011 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.013 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.013 0.016 0.014 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.013 0.013 0.015 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.012 +[31] 0.013 0.020 0.012 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.011 +[31] 0.012 0.014 0.011 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.012 0.013 0.013 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.013 +[31] 0.013 0.018 0.013 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.012 +[31] 0.014 0.016 0.012 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.012 +[31] 0.015 0.016 0.013 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.017 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11034,10 +11034,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.20E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.20E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.1E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -11078,12 +11078,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -11128,147 +11128,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.013 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.007 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.007 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.016 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.013 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11352,10 +11352,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.44E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.68E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.68E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.9E+01 0.6 E+00 0.0 ENANTIO [14] S/ESD 11 11 -0.012 -0.9E+01 0.41 E-02 -2.8 CL 1 U[12] @@ -11397,12 +11397,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.004 0.006 0.002 +[31] 0.005 0.006 0.003 [03] Reversals @@ -11447,147 +11447,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.031 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.012 0.012 0.016 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.015 0.014 0.011 +[31] 0.015 0.014 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.017 +[31] 0.019 0.020 0.017 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.020 0.020 0.018 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.020 0.020 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.017 0.015 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.021 0.021 0.019 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.021 0.020 +[31] 0.021 0.021 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.019 0.020 0.019 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.028 0.026 +[31] 0.024 0.029 0.026 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.026 0.023 +[31] 0.026 0.027 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.025 0.026 +[31] 0.025 0.025 0.026 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.023 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.023 0.036 0.022 +[31] 0.024 0.037 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.023 0.024 +[31] 0.023 0.024 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.024 +[31] 0.024 0.032 0.024 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.026 0.029 0.021 +[31] 0.026 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.029 0.023 +[31] 0.028 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -11671,10 +11671,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.74E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.4E+01 0.7 E+00 -0.0 ENANTIO for 263 parameters @@ -11712,15 +11712,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.004 [03] Reversals @@ -11765,147 +11765,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.035 0.033 0.032 +[31] 0.035 0.034 0.033 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.014 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.012 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.013 +[31] 0.014 0.017 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.020 0.021 0.019 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.020 +[31] 0.022 0.021 0.020 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.016 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.021 +[31] 0.023 0.022 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.015 0.017 0.014 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.022 +[31] 0.022 0.022 0.022 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.017 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.022 0.023 0.020 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.022 +[31] 0.022 0.022 0.022 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.022 0.024 0.022 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.023 0.026 0.024 +[31] 0.023 0.027 0.025 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.027 +[31] 0.026 0.031 0.028 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.024 +[31] 0.028 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.027 0.027 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.023 0.025 +[31] 0.024 0.024 0.025 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.03 0.01 0.01 0.00 0.01 -[31] 0.026 0.039 0.024 +[31] 0.026 0.040 0.024 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.028 0.022 +[31] 0.024 0.029 0.022 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.026 +[31] 0.025 0.025 0.026 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.025 0.034 0.026 +[31] 0.025 0.035 0.027 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.031 0.023 +[31] 0.028 0.032 0.024 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.031 0.026 +[31] 0.030 0.032 0.026 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.033 0.026 +[31] 0.028 0.033 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SET MONITOR ON @@ -11929,14 +11929,14 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 ___________ (1) NO ___________ @@ -12110,8 +12110,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.13E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.13E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+01 -0.0 ENANTIO [14] S/ESD 6 6 -0.014 0.0E+00 0.22 E-02 -6.4 CL 1 U[11] [14] S/ESD 9 9 -0.026 0.0E+00 0.13 E-02 -19.7 CL 1 U[23] @@ -12160,12 +12160,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.04 0.06 0.02 0.04 0.01 -[31] 0.013 0.018 0.021 +[31] 0.014 0.018 0.022 [03] Reversals @@ -12210,147 +12210,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.063 0.058 +[31] 0.062 0.064 0.059 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.12 0.12 0.10 0.09 0.09 0.10 -[31] 0.207 0.201 0.190 +[31] 0.207 0.202 0.190 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.03 0.04 -0.06 -0.02 0.04 0.00 [37] 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.085 0.109 +[31] 0.084 0.085 0.110 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.08 0.06 0.04 0.04 0.05 0.06 -[31] 0.103 0.093 0.073 +[31] 0.104 0.093 0.074 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.03 0.04 -[31] 0.084 0.102 0.079 +[31] 0.084 0.102 0.079 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.122 0.128 0.113 +[31] 0.122 0.129 0.113 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.124 0.123 0.122 +[31] 0.125 0.123 0.123 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.092 0.090 0.093 +[31] 0.092 0.090 0.094 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.07 0.05 0.06 0.04 0.05 0.05 -[31] 0.142 0.129 0.134 +[31] 0.143 0.129 0.134 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.04 0.03 0.04 -[31] 0.087 0.102 0.084 +[31] 0.087 0.102 0.085 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.04 0.05 0.04 -[31] 0.127 0.128 0.129 +[31] 0.127 0.128 0.130 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.03 0.04 -[31] 0.102 0.110 0.102 +[31] 0.103 0.111 0.102 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.123 0.130 0.115 +[31] 0.123 0.131 0.115 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.135 0.144 0.132 +[31] 0.136 0.144 0.132 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.05 0.04 0.04 0.04 -[31] 0.096 0.095 0.096 +[31] 0.096 0.096 0.096 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.127 0.140 0.131 +[31] 0.127 0.140 0.132 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.05 0.04 0.05 -[31] 0.127 0.140 0.127 +[31] 0.128 0.140 0.127 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.07 0.06 0.05 0.06 -[31] 0.138 0.158 0.143 +[31] 0.139 0.158 0.143 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.09 0.09 0.07 0.07 0.06 0.07 -[31] 0.170 0.181 0.158 +[31] 0.171 0.181 0.158 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.07 -[31] 0.164 0.181 0.154 +[31] 0.164 0.181 0.155 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.09 0.10 0.07 0.07 0.07 -[31] 0.171 0.166 0.184 +[31] 0.172 0.166 0.184 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.07 0.06 0.05 0.05 -[31] 0.138 0.145 0.146 +[31] 0.138 0.145 0.147 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.01 0.02 0.01 0.08 0.17 0.06 0.08 0.05 0.09 -[31] 0.159 0.232 0.144 +[31] 0.160 0.232 0.145 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.10 0.06 0.06 0.05 0.06 -[31] 0.141 0.169 0.129 +[31] 0.142 0.170 0.130 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.08 0.07 0.06 0.06 -[31] 0.144 0.159 0.155 +[31] 0.144 0.159 0.156 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.11 0.09 0.09 0.06 0.08 -[31] 0.153 0.206 0.165 +[31] 0.154 0.207 0.165 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.11 0.06 0.07 0.05 0.08 -[31] 0.161 0.196 0.140 +[31] 0.162 0.196 0.140 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.10 0.09 0.07 0.07 0.07 0.08 -[31] 0.187 0.183 0.156 +[31] 0.188 0.184 0.157 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.08 -[31] 0.161 0.191 0.150 +[31] 0.162 0.192 0.151 [84] Mean C-C su = 0.15 #CYCLENDS #SFLS @@ -12434,8 +12434,8 @@ LS-scale= 0.447 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -12476,12 +12476,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.010 0.007 0.006 [03] Reversals @@ -12526,147 +12526,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.014 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12750,8 +12750,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -12792,12 +12792,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -12842,147 +12842,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13066,8 +13066,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.8E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -13105,15 +13105,15 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -13158,147 +13158,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13382,8 +13382,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -13424,12 +13424,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.001 0.004 [03] Reversals @@ -13474,147 +13474,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -13638,20 +13638,20 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 ___________ (1) NO ___________ @@ -13809,8 +13809,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.06E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.06E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.014 0.0E+00 0.84 E-02 1.7 CL 1 U[11] [14] S/ESD 7 7 0.019 0.0E+00 0.69 E-02 2.8 CL 1 U[22] @@ -13856,12 +13856,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.013 0.017 0.019 +[31] 0.014 0.017 0.020 [03] Reversals @@ -13906,147 +13906,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.025 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.046 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -14130,8 +14130,8 @@ LS-scale= 0.444 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.1E+01 0.2 E+00 0.6 ENANTIO for 263 parameters @@ -14172,12 +14172,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.010 0.006 [03] Reversals @@ -14222,147 +14222,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14446,8 +14446,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.80E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.1E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -14485,15 +14485,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -14538,147 +14538,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14762,8 +14762,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.73E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.73E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -14801,15 +14801,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -14854,147 +14854,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.013 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15078,8 +15078,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -15120,12 +15120,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -15170,147 +15170,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -15328,10 +15328,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 1.0 U_geom = _geom Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 1E-04 1.0 U_geom = _geom ___________ (1) NO ___________ @@ -15489,8 +15489,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.07E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 S/ESD 1 1 0.012 0.0E+00 0.691E-02 1.73 SCALE [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.024 0.0E+00 0.95 E-02 2.5 CL 1 U[11] @@ -15538,12 +15538,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.04 0.01 0.01 0.01 -[31] 0.014 0.018 0.018 +[31] 0.014 0.019 0.019 [03] Reversals @@ -15588,147 +15588,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.018 0.018 0.017 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.058 0.054 +[31] 0.060 0.058 0.055 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 -0.04 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.031 +[31] 0.024 0.025 0.032 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.026 0.021 +[31] 0.030 0.027 0.021 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.029 0.022 +[31] 0.024 0.029 0.023 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.032 +[31] 0.035 0.037 0.033 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.035 0.035 +[31] 0.036 0.035 0.035 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.026 0.027 +[31] 0.026 0.026 0.027 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.041 0.037 0.038 +[31] 0.041 0.037 0.039 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.024 +[31] 0.025 0.029 0.024 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.036 0.037 +[31] 0.037 0.037 0.037 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.029 +[31] 0.029 0.032 0.029 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.033 +[31] 0.035 0.037 0.033 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.041 0.038 +[31] 0.039 0.041 0.038 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.027 0.027 +[31] 0.028 0.028 0.028 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.037 +[31] 0.036 0.040 0.038 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.036 +[31] 0.037 0.040 0.036 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.045 0.041 +[31] 0.040 0.046 0.041 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.045 +[31] 0.049 0.052 0.045 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.052 0.044 +[31] 0.047 0.052 0.044 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.047 0.053 +[31] 0.049 0.048 0.053 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.041 0.042 +[31] 0.040 0.042 0.042 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.045 0.066 0.041 +[31] 0.046 0.067 0.042 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.048 0.037 +[31] 0.041 0.049 0.037 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.041 0.045 0.044 +[31] 0.042 0.046 0.045 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.044 0.059 0.047 +[31] 0.044 0.059 0.048 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.02 0.01 0.02 -[31] 0.046 0.056 0.040 +[31] 0.046 0.056 0.040 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.02 0.02 0.02 -[31] 0.054 0.052 0.045 +[31] 0.054 0.053 0.045 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.046 0.055 0.043 +[31] 0.046 0.055 0.043 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -15812,8 +15812,8 @@ LS-scale= 0.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.77E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.77E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.7E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -15854,12 +15854,12 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.005 +[31] 0.007 0.008 0.005 [03] Reversals @@ -15904,147 +15904,147 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16128,8 +16128,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -16167,15 +16167,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -16220,147 +16220,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16444,8 +16444,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16483,15 +16483,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16536,147 +16536,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16760,8 +16760,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16802,12 +16802,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16852,147 +16852,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -17010,10 +17010,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 1.0 U_eq = _eq Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 1E-04 1.0 U_eq = _eq ___________ (1) NO ___________ @@ -17218,8 +17218,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.12 E-01 1.0 C 19 U[33] @@ -17261,12 +17261,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.009 0.012 0.017 +[31] 0.010 0.013 0.017 [03] Reversals @@ -17311,147 +17311,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.030 +[31] 0.033 0.032 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.011 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.013 0.016 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.020 0.020 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.015 0.015 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.021 +[31] 0.023 0.021 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.023 0.021 +[31] 0.022 0.023 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.022 0.025 0.022 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.027 0.029 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.029 0.024 +[31] 0.026 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.028 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.023 0.023 +[31] 0.022 0.023 0.024 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.025 0.037 0.023 +[31] 0.025 0.037 0.023 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.024 +[31] 0.023 0.025 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.032 0.026 +[31] 0.025 0.033 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.031 0.022 +[31] 0.026 0.031 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.025 +[31] 0.030 0.029 0.025 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -17535,8 +17535,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -17574,15 +17574,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.005 0.004 0.005 [03] Reversals @@ -17627,147 +17627,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17851,8 +17851,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.4E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -17893,12 +17893,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.002 0.002 0.004 [03] Reversals @@ -17943,147 +17943,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18167,8 +18167,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18206,15 +18206,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [03] Reversals @@ -18259,147 +18259,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18483,8 +18483,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -18525,12 +18525,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.001 0.003 [03] Reversals @@ -18575,147 +18575,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18799,8 +18799,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18838,15 +18838,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -18891,147 +18891,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19115,8 +19115,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19157,12 +19157,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -19207,147 +19207,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19431,8 +19431,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -19470,15 +19470,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19523,147 +19523,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19747,8 +19747,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19789,12 +19789,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19839,147 +19839,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20063,8 +20063,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.2E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -20102,15 +20102,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -20155,147 +20155,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -20318,52 +20318,52 @@ T tensor: Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.0 U13 - Utls13 == 0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.0 U13 - Utls13 == 0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.0 U13 - Utls13 == 0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.0 U13 - Utls13 == 0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.0 U13 - Utls13 == 0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.0 U13 - Utls13 == 0 ___________ (1) NO ___________ diff --git a/test_suite/INW64GH.org/shapering.out b/test_suite/INW64GH.org/shapering.out index 5ca536fbe..f4e537359 100644 --- a/test_suite/INW64GH.org/shapering.out +++ b/test_suite/INW64GH.org/shapering.out @@ -37,7 +37,6 @@ Space group symbol is P 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - There is no list 41 # #LIST 6 #LIST 28 @@ -57,6 +56,9 @@ Bonds: Update required - There is no list 41 #LIST 17 #LIST 23 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -222,8 +224,8 @@ LS-scale= 6.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.066 0.0E+00 0.124E-01 5.32 SCALE [14] S/ESD 29 29 0.011 0.0E+00 0.78 E-02 1.4 C 13 Z @@ -265,12 +267,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.021 0.052 +[31] 0.038 0.022 0.052 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.076 0.043 0.102 +[31] 0.077 0.043 0.102 [03] Reversals @@ -315,62 +317,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.046 0.037 0.046 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.045 0.037 0.045 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.45 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.068 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 15. 0.42 1.00 -0.27 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0680 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -459,8 +461,8 @@ LS-scale= 6.358 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.08E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.08E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -501,15 +503,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.014 +[31] 0.019 0.019 0.015 [03] Reversals @@ -554,62 +556,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0548 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0016 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -698,8 +700,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.02E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -743,12 +745,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.008 [03] Reversals @@ -793,62 +795,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -937,8 +939,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.00E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.00E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -995,15 +997,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.005 0.002 +[31] 0.003 0.005 0.002 [03] Reversals @@ -1048,62 +1050,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1213,10 +1215,10 @@ LS-scale= 5.759 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.49E-12 -[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2.49E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2E-12 [13] LARGE 1 1 0.6 0.0E+00 0.1 E-01 32.5 SCALE [14] S/ESD 2 2 0.409 0.0E+00 0.60 E-01 6.7 C 1 OCC Composite @@ -1402,15 +1404,15 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [38] Mean 0.61 0.31 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.027 0.025 +[31] 0.032 0.028 0.026 [71] R.M.S. 0. 0.33 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.227 0.146 0.133 +[31] 0.227 0.147 0.134 [70] Maximum 0. 0.40 0.04 0.03 0.02 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.410 0.262 0.295 +[31] 0.410 0.262 0.295 [03] Reversals @@ -1455,62 +1457,62 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [37] C 1. 0.93 1.00 -0.13 -0.10 -0.29 0.10 [73] 0.40 -0.01 0.00 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 2. 0.93 1.00 -0.11 -0.20 -0.18 0.10 [73] 0.40 -0.00 0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.074 [37] C 3. 0.93 1.00 -0.19 -0.20 -0.10 0.10 [73] 0.40 -0.02 -0.02 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.075 +[31] 0.074 0.057 0.076 [37] C 4. 0.93 1.00 -0.26 -0.05 -0.17 0.10 [73] 0.40 -0.01 0.00 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.072 0.059 0.073 +[31] 0.072 0.059 0.074 [37] C 5. 0.93 1.00 -0.21 -0.01 -0.28 0.10 [73] 0.40 0.01 -0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.074 0.059 0.072 [37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 [73] 0.22 0.03 0.00 -0.01 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.199 0.161 0.200 +[31] 0.199 0.162 0.200 [37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 [73] 0.22 0.01 0.01 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.196 0.160 0.191 +[31] 0.196 0.160 0.192 [37] C 13. 0.54 1.00 -0.18 -0.26 0.04 0.11 [73] 0.22 -0.00 0.02 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.202 0.162 0.196 +[31] 0.202 0.162 0.197 [37] C 14. 0.54 1.00 -0.34 0.00 -0.09 0.11 [73] 0.22 -0.02 -0.01 -0.03 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.204 0.159 0.203 +[31] 0.205 0.160 0.203 [37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 [73] 0.22 0.03 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.201 0.158 0.199 +[31] 0.201 0.158 0.200 [37] C 100. 0.30 4.00 -0.15 -0.09 -0.18 0.05 -2.0452 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.30 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [37] C 200. 2.26 4.00 -0.15 -0.09 -0.19 0.06 -1.1286 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.23 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [84] Mean C-C su = 0.10 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1599,8 +1601,8 @@ LS-scale= 6.368 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.69E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.69E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.155 -0.4E+00 0.46 E-01 -3.3 C 1 OCC Composite @@ -1783,15 +1785,15 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [38] Mean 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.020 0.019 +[31] 0.024 0.020 0.019 [71] R.M.S. 0. 0.14 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.080 0.113 +[31] 0.084 0.080 0.114 [70] Maximum 0. 0.15 0.03 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.180 0.151 0.261 +[31] 0.181 0.151 0.261 [03] Reversals @@ -1836,62 +1838,62 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 0.78 1.00 -0.13 -0.10 -0.31 0.07 [73] -0.15 0.00 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 2. 0.78 1.00 -0.11 -0.21 -0.19 0.07 [73] -0.15 -0.00 -0.01 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.032 0.042 +[31] 0.044 0.033 0.043 [37] C 3. 0.78 1.00 -0.17 -0.18 -0.09 0.07 [73] -0.15 0.01 0.01 0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 4. 0.78 1.00 -0.25 -0.05 -0.17 0.07 [73] -0.15 0.00 -0.00 -0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.78 1.00 -0.22 0.00 -0.29 0.07 [73] -0.15 -0.01 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.034 0.041 +[31] 0.041 0.035 0.041 [37] C 11. 0.41 1.00 -0.07 -0.05 -0.44 0.10 [73] -0.13 0.00 0.00 0.02 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.070 0.056 0.069 [37] C 12. 0.41 1.00 0.00 -0.31 -0.14 0.10 [73] -0.13 0.00 -0.00 0.01 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.069 +[31] 0.071 0.058 0.070 [37] C 13. 0.41 1.00 -0.18 -0.25 0.04 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 14. 0.41 1.00 -0.33 0.00 -0.08 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.073 0.057 0.071 [37] C 15. 0.41 1.00 -0.24 0.15 -0.36 0.10 [73] -0.13 -0.00 0.01 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 100. 1.08 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.77 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.23 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.91 4.00 -0.17 -0.10 -0.20 0.05 [22] 0.65 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.15 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1980,8 +1982,8 @@ LS-scale= 6.366 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.97E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.97E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.226 0.1E+01 0.40 E-01 -5.5 C 1 OCC Composite @@ -2155,15 +2157,15 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [38] Mean 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.017 +[31] 0.021 0.018 0.017 [71] R.M.S. 0. 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.054 0.043 +[31] 0.072 0.054 0.044 [70] Maximum 0. 0.22 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.154 0.101 0.075 +[31] 0.155 0.102 0.075 [03] Reversals @@ -2208,62 +2210,62 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [37] C 1. 0.55 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.22 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 2. 0.55 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.22 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.033 +[31] 0.034 0.026 0.033 [37] C 3. 0.55 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.22 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.033 +[31] 0.033 0.026 0.033 [37] C 4. 0.55 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.22 0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 5. 0.55 1.00 -0.22 0.00 -0.29 0.06 [73] -0.22 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.03 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 [73] -0.03 0.00 0.01 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.076 +[31] 0.078 0.063 0.077 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.081 0.064 0.080 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.062 0.079 +[31] 0.080 0.063 0.079 [37] C 15. 0.38 1.00 -0.24 0.15 -0.36 0.09 [73] -0.03 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.079 +[31] 0.079 0.063 0.079 [37] C 100. 2.21 4.00 -0.17 -0.11 -0.20 0.03 [22] 1.13 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.20 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.15 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.13 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2352,8 +2354,8 @@ LS-scale= 6.361 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.039 0.2E+00 0.35 E-01 -1.0 C 1 OCC Composite @@ -2415,15 +2417,15 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [38] Mean 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.045 0.039 0.031 +[31] 0.046 0.039 0.032 [70] Maximum 0. 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.086 0.076 0.052 +[31] 0.086 0.076 0.053 [03] Reversals @@ -2468,62 +2470,62 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.042 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 4. 0.51 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.043 [37] C 5. 0.51 1.00 -0.21 0.00 -0.28 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.042 [37] C 11. 0.36 1.00 -0.08 -0.06 -0.45 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.36 1.00 0.01 -0.31 -0.14 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.36 1.00 -0.16 -0.25 0.05 0.09 [73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.062 0.077 [37] C 14. 0.36 1.00 -0.32 0.01 -0.07 0.09 [73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 15. 0.36 1.00 -0.25 0.14 -0.37 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.41 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.19 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.07 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2613,8 +2615,8 @@ LS-scale= 6.360 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.02E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.02E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2654,12 +2656,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.008 +[31] 0.012 0.014 0.009 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.031 0.019 +[31] 0.025 0.031 0.019 [03] Reversals @@ -2704,62 +2706,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.037 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.079 +[31] 0.081 0.065 0.080 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.079 0.064 0.078 [37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.082 0.065 0.080 [37] C 14. 0.37 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.063 0.080 +[31] 0.081 0.064 0.080 [37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.080 +[31] 0.081 0.064 0.080 [37] C 100. 2.50 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.09 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0466 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2848,8 +2850,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.93E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.93E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2893,12 +2895,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.009 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.026 0.015 +[31] 0.019 0.026 0.015 [03] Reversals @@ -2943,62 +2945,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.079 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.078 [37] C 100. 2.51 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 -0.0110 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3087,8 +3089,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -3148,12 +3150,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.004 +[31] 0.009 0.013 0.005 [03] Reversals @@ -3198,62 +3200,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.063 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.063 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0077 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3342,8 +3344,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.07E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.07E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3387,12 +3389,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.004 +[31] 0.007 0.010 0.004 [03] Reversals @@ -3437,62 +3439,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.076 +[31] 0.079 0.062 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.077 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0032 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3948,8 +3950,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.29E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.29E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3989,12 +3991,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.021 0.042 +[31] 0.032 0.022 0.043 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.056 0.038 0.082 +[31] 0.056 0.038 0.083 [03] Reversals @@ -4039,62 +4041,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.066 +[31] 0.068 0.054 0.066 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.068 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 100. 2.62 4.00 -0.17 -0.11 -0.20 0.03 -0.0594 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4183,8 +4185,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.12E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.12E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4225,15 +4227,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.006 +[31] 0.009 0.007 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.013 +[31] 0.019 0.014 0.013 [03] Reversals @@ -4278,62 +4280,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.071 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0517 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4422,8 +4424,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4464,15 +4466,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [03] Reversals @@ -4517,62 +4519,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4661,8 +4663,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4699,15 +4701,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -4752,62 +4754,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0043 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4917,8 +4919,8 @@ LS-scale= 6.870 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.30E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.30E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 S/ESD 1 1 -0.514 0.0E+00 0.171E-01 -30.07 SCALE [14] S/ESD 2 2 0.100 0.0E+00 0.36 E-01 2.7 C 1 OCC Composite @@ -5096,12 +5098,12 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.071 0.073 +[31] 0.062 0.071 0.073 [70] Maximum 0. 0.10 0.02 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.121 0.149 0.130 +[31] 0.121 0.149 0.130 [03] Reversals @@ -5146,62 +5148,62 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [37] C 1. 0.63 1.00 -0.14 -0.10 -0.30 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.046 [37] C 2. 0.63 1.00 -0.11 -0.20 -0.19 0.07 [73] 0.10 -0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.038 0.047 +[31] 0.047 0.039 0.047 [37] C 3. 0.63 1.00 -0.18 -0.19 -0.10 0.07 [73] 0.10 0.00 0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.046 +[31] 0.048 0.038 0.046 [37] C 4. 0.63 1.00 -0.25 -0.05 -0.16 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.046 +[31] 0.047 0.038 0.047 [37] C 5. 0.63 1.00 -0.22 -0.01 -0.28 0.07 [73] 0.10 -0.01 0.00 -0.01 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.048 +[31] 0.048 0.038 0.048 [37] C 11. 0.44 1.00 -0.11 -0.08 -0.46 0.09 [73] 0.06 -0.00 -0.01 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.070 0.088 +[31] 0.088 0.071 0.088 [37] C 12. 0.44 1.00 -0.02 -0.32 -0.16 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.088 0.070 0.086 +[31] 0.088 0.071 0.086 [37] C 13. 0.44 1.00 -0.19 -0.28 0.03 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.071 0.087 +[31] 0.088 0.071 0.087 [37] C 14. 0.44 1.00 -0.33 -0.01 -0.07 0.09 [73] 0.06 -0.00 -0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.070 0.089 +[31] 0.089 0.071 0.089 [37] C 15. 0.44 1.00 -0.28 0.12 -0.38 0.09 [73] 0.06 -0.00 0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.071 0.087 +[31] 0.089 0.071 0.087 [37] C 100. 1.81 4.00 -0.18 -0.12 -0.21 0.02 -0.5012 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [37] C 200. 2.79 4.00 -0.18 -0.12 -0.21 0.03 -0.3480 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.13 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5290,8 +5292,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.43E-04 +[80a] Block No 1. Single precision relative error: 1E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1E-04 [14] S/ESD 2 2 -0.112 -0.1E+01 0.34 E-01 -3.3 C 1 OCC Composite @@ -5446,12 +5448,12 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.027 0.039 +[31] 0.053 0.028 0.040 [70] Maximum 0. 0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.050 0.082 +[31] 0.079 0.051 0.083 [03] Reversals @@ -5496,62 +5498,62 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 0.52 1.00 -0.14 -0.10 -0.30 0.06 [73] -0.11 0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.52 1.00 -0.12 -0.20 -0.19 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 3. 0.52 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 4. 0.52 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.52 1.00 -0.22 -0.01 -0.28 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.11 -0.08 -0.46 0.10 [73] -0.01 0.00 0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.065 +[31] 0.066 0.053 0.066 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.17 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.064 +[31] 0.065 0.052 0.064 [37] C 13. 0.42 1.00 -0.20 -0.28 0.02 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.053 0.065 +[31] 0.066 0.053 0.065 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.066 +[31] 0.067 0.053 0.066 [37] C 15. 0.42 1.00 -0.27 0.11 -0.38 0.10 [73] -0.01 0.00 -0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.065 +[31] 0.066 0.052 0.065 [37] C 100. 2.37 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.56 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.20 0.05 [22] 0.06 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5640,8 +5642,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.90E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 7.90E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 [14] S/ESD 2 2 -0.070 0.6E+00 0.37 E-01 -1.9 C 1 OCC Composite @@ -5719,15 +5721,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.021 +[31] 0.019 0.017 0.021 [70] Maximum 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.030 0.044 +[31] 0.033 0.030 0.045 [03] Reversals @@ -5772,62 +5774,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.45 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.45 1.00 -0.12 -0.20 -0.20 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.035 0.044 +[31] 0.046 0.035 0.045 [37] C 3. 0.45 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.045 [37] C 4. 0.45 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.07 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.45 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.41 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.073 0.059 0.072 [37] C 12. 0.41 1.00 -0.02 -0.33 -0.16 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.072 0.058 0.071 [37] C 13. 0.41 1.00 -0.20 -0.28 0.03 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.071 +[31] 0.072 0.059 0.072 [37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.072 +[31] 0.074 0.058 0.073 [37] C 15. 0.41 1.00 -0.27 0.12 -0.38 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.057 0.071 +[31] 0.073 0.058 0.072 [37] C 100. 2.73 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.35 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.91 4.00 -0.17 -0.11 -0.20 0.04 [22] 0.04 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5916,8 +5918,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.32E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.32E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -5958,15 +5960,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.010 +[31] 0.007 0.005 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.010 0.028 +[31] 0.019 0.010 0.028 [03] Reversals @@ -6011,62 +6013,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.074 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.074 0.059 0.072 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.059 0.073 [37] C 100. 2.75 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0109 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6156,8 +6158,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.31E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.31E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6194,15 +6196,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.003 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.014 +[31] 0.007 0.004 0.014 [03] Reversals @@ -6247,62 +6249,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0039 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6391,8 +6393,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.30E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6429,15 +6431,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.008 +[31] 0.005 0.001 0.008 [03] Reversals @@ -6482,62 +6484,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.046 +[31] 0.047 0.037 0.046 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.072 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6739,7 +6741,7 @@ All cycle Rw 0.0 10. 0.10E+03 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 24 serial number 26 Address 227498 Length 90 Created on + Print list type 24 serial number 26 Address 224654 Length 90 Created on @@ -6993,8 +6995,8 @@ LS-scale= 6.354 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.01E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.01E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 -0.224 0.0E+00 0.151E+00 -1.49 SCALE [14] S/ESD 29 29 0.010 0.0E+00 0.75 E-02 1.4 C 13 Z @@ -7036,12 +7038,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.025 0.048 +[31] 0.038 0.025 0.048 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.064 0.047 0.093 +[31] 0.064 0.048 0.094 [03] Reversals @@ -7086,62 +7088,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.45 0.10 [73] -0.01 0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.065 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.064 +[31] 0.066 0.053 0.064 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.066 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.066 +[31] 0.068 0.053 0.066 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.052 0.066 +[31] 0.068 0.053 0.066 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0165 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7230,8 +7232,8 @@ LS-scale= 6.337 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.84E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.84E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7308,15 +7310,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.008 +[31] 0.010 0.006 0.008 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.016 [03] Reversals @@ -7361,62 +7363,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0659 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7505,8 +7507,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.76E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.76E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -7550,12 +7552,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.005 0.008 [03] Reversals @@ -7600,62 +7602,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7744,8 +7746,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.73E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.73E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7802,15 +7804,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [03] Reversals @@ -7855,62 +7857,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.59 4.00 -0.17 -0.11 -0.20 0.03 -0.0057 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7920,7 +7922,7 @@ All cycle Rw 0.0 19. 0.10E+03 [24] F 5. 0.073 0.273 0.509 0.285 0.216 1.904 Might be split [24] F 6. 0.074 0.281 0.754 0.370 0.251 2.854 Might be split #CYCLENDS -#USE SHAPERING3.IN +#USE SHAPERING1.IN # # PUNCHED ON AT # @@ -7940,9 +7942,6 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. 3 Symmetry restraints written to LIST 17 #LIST 17 #REFINE 1 - Atom C 100 has U-iso too small, -0.0018 - 1 temperature factors less than the lowest allowed value of 0.00000 - The minimum value was -0.00183 Initialising Special positions @@ -7954,30 +7953,30 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. h k l Fo Fc -[61] 1. 1. 0. 60. 76. -[61] 4. 1. 0. 19. 14. -[61] -11. 2. 0. 1. 3. -[61] 10. 2. 0. 4. 5. -[61] 10. 3. 0. 2. 3. -[61] -5. 4. 0. 18. 14. -[61] -6. 6. 0. 8. 4. -[61] 0. 6. 0. 16. 10. +[61] 1. 1. 0. 65. 80. +[61] 4. 1. 0. 20. 14. +[61] 6. 1. 0. 17. 13. +[61] -11. 2. 0. 1. 2. +[61] 2. 2. 0. 34. 23. +[61] 3. 2. 0. 30. 20. +[61] 8. 2. 0. 10. 8. +[61] -3. 3. 0. 16. 10. +[61] -2. 3. 0. 36. 27. +[61] -1. 3. 0. 36. 27. +[61] 3. 3. 0. 11. 6. +[61] 6. 3. 0. 18. 12. +[61] -6. 4. 0. 18. 13. +[61] -5. 4. 0. 20. 12. +[61] 0. 4. 0. 23. 18. +[61] 6. 4. 0. 7. 5. +[61] -7. 5. 0. 11. 8. +[61] 6. 5. 0. 13. 10. +[61] -6. 6. 0. 8. 5. +[61] -1. 6. 0. 18. 11. [61] 5. 6. 0. 9. 7. -[61] 8. 6. 0. 5. 7. -[61] 0. 7. 0. 19. 14. -[61] 1. 7. 0. 12. 8. -[61] 2. 7. 0. 9. 11. -[61] 7. 7. 0. 4. 5. -[61] 4. 8. 0. 7. 6. -[61] 6. 8. 0. 5. 6. -[61] 2. 10. 0. 2. 3. -[61] 3. 10. 0. 2. 4. -[61] 2. 11. 0. 4. 5. -[61] -4. -10. 1. 5. 7. -[61] -3. -10. 1. 3. 5. -[61] -4. -9. 1. 5. 7. -[61] -8. -7. 1. 3. 5. -[61] 0. -7. 1. 4. 2. +[61] -4. 7. 0. 15. 11. +[61] -5. 9. 0. 7. 5. +[61] 2. 10. 0. 2. 2. And so on ------------ @@ -7986,22 +7985,22 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 10. 23. ************ +[62] 13. 27. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 34000 32000 3400 On scale of /FC/ +[33] 36000 32000 4900 On scale of /FC/ -[32] 211780 202020 21560 0.33 E+06 On scale of /FO/ +[32] 211780 186550 28630 0.45 E+06 On scale of /FO/ - New scale factor (G) is 6.196, 2803 reflections used in refinement + New scale factor (G) is 5.759, 2803 reflections used in refinement Structure factor least squares calculation 6 ends 2 -[29] SumFo/SumFc= 6.49 SumFoFc/SumFc^2= 6.32 SumwFoFc/SumwFc^2= 6.40 -LS-scale= 6.196 Wilson Scale= 0.000 -[27] - = 0.5 100*(-)/ = 4. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 5.759 Wilson Scale= 0.000 +[27] - = 1.5 100*(-)/ = 11. #DORESTRAIN #LIST 26 #DORESTRAIN @@ -8023,10 +8022,36 @@ LS-scale= 6.196 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 6.35E-05 -[13] LARGE 1 1 1.6 0.0E+00 0.1 E+00 8.6 SCALE -[14] S/ESD 2 2 0.303 0.0E+00 0.24 E-01 12.4 C 1 OCC +[80a] Block No 1. Single precision relative error: 1E-03 +Insufficient precision - trying double +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 3E-12 +[13] LARGE 1 1 7.1 0.0E+00 0.2 E+00 32.3 SCALE +[14] S/ESD 2 2 0.426 0.0E+00 0.62 E-01 6.8 C 1 OCC + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + +[14] S/ESD 3 3 -0.011 0.0E+00 0.69 E-02 -1.6 C 1 X +[14] S/ESD 4 4 0.011 0.0E+00 0.65 E-02 1.6 C 1 Y +[14] S/ESD 5 5 0.020 0.0E+00 0.85 E-02 2.3 C 1 Z +[14] S/ESD 6 6 0.047 0.0E+00 0.98 E-02 4.8 C 1 U[ISO] Composite Composite @@ -8043,13 +8068,19 @@ Block No 1. Single precision relative error: 6.35E-05 Composite +[14] S/ESD 8 8 0.017 0.0E+00 0.63 E-02 2.8 C 2 Y +[14] S/ESD 9 9 0.016 0.0E+00 0.86 E-02 1.9 C 2 Z +[14] S/ESD 10 10 -0.018 0.0E+00 0.69 E-02 -2.6 C 3 X +[14a] LARGE 11 11 -0.029 0.0E+00 0.62 E-02 -4.7 C 3 Y +[14] S/ESD 12 12 0.011 0.0E+00 0.89 E-02 1.3 C 3 Z +[14] S/ESD 13 13 -0.013 0.0E+00 0.67 E-02 -1.9 C 4 X +[14] S/ESD 17 17 -0.013 0.0E+00 0.64 E-02 -2.0 C 5 Y +[14] S/ESD 18 18 0.015 0.0E+00 0.85 E-02 1.8 C 5 Z +[14] S/ESD 19 19 0.222 0.0E+00 0.47 E-01 4.6 C 11 OCC Composite Composite -[14] S/ESD 4 4 -0.013 0.0E+00 0.35 E-02 -3.7 C 1 Y -[14] S/ESD 5 5 -0.016 0.0E+00 0.47 E-02 -3.5 C 1 Z -[14] S/ESD 6 6 0.038 0.0E+00 0.39 E-02 9.6 C 1 U[ISO] Composite Composite @@ -8066,9 +8097,8 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 11 11 0.010 0.0E+00 0.35 E-02 2.9 C 3 Y -[14] S/ESD 15 15 0.011 0.0E+00 0.47 E-02 2.4 C 4 Z -[14] S/ESD 22 22 -0.010 0.0E+00 0.56 E-02 -1.8 C 11 Z +[14a] LARGE 20 20 0.040 0.0E+00 0.18 E-01 2.1 C 11 X +[14] S/ESD 23 23 -0.017 0.0E+00 0.22 E-02 -7.7 C 11 U[ISO] Composite Composite @@ -8141,22 +8171,23 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 24 24 -0.013 0.0E+00 0.44 E-02 -3.1 C 12 X -[14] S/ESD 28 28 -0.012 0.0E+00 0.42 E-02 -2.8 C 13 Y -[14] S/ESD 33 33 -0.014 0.0E+00 0.45 E-02 -3.2 C 15 X -[14] S/ESD 34 34 -0.010 0.0E+00 0.42 E-02 -2.4 C 15 Y -[14] S/ESD 35 35 -0.010 0.0E+00 0.56 E-02 -1.9 C 15 Z +[14] S/ESD 24 24 0.020 0.0E+00 0.18 E-01 1.1 C 12 X +[14] S/ESD 25 25 0.019 0.0E+00 0.17 E-01 1.0 C 12 Y +[14a] LARGE 28 28 0.031 0.0E+00 0.17 E-01 1.7 C 13 Y +[14a] LARGE 30 30 -0.024 0.0E+00 0.19 E-01 -1.2 C 14 X +[14a] LARGE 32 32 -0.039 0.0E+00 0.23 E-01 -1.6 C 14 Z +[14a] LARGE 33 33 0.037 0.0E+00 0.18 E-01 1.9 C 15 X for 35 parameters -[64] The rms (shift/su) = 3. +[64] The rms (shift/su) = 6. [64] The mean abs(shift/su) = 2. - The largest (shift/esd) = 12.43, for Parameter 2, C1OCC + The largest (shift/esd) = 32.33, for Parameter 1, SCALE Min Actual Max -All cycle R-factor 0.0 10. 0.10E+03 -All cycle Rw 0.0 24. 0.10E+03 +All cycle R-factor 0.0 14. 0.10E+03 +All cycle Rw 0.0 28. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.33E+06 0.10E+16 +All cycle Min function 0.0 0.45E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -8167,8 +8198,8 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.33E+06 0.0E+00 0.33E+06 -[45] Hamilton weighted R-value 23. 0.00 23. +[30] Minimisation function 0.45E+06 0.0E+00 0.45E+06 +[45] Hamilton weighted R-value 27. 0.00 27. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8181,16 +8212,16 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 1.62 0.15 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 -0.01 -0.01 +[38] Mean 7.10 0.32 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.032 0.030 -[71] R.M.S. 1. 0.21 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.087 0.072 0.079 +[71] R.M.S. 7. 0.34 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.242 0.164 0.152 -[70] Maximum 1. 0.30 0.03 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.161 0.123 0.147 +[70] Maximum 7. 0.42 0.04 0.04 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.443 0.294 0.344 [03] Reversals @@ -8221,9 +8252,9 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 -[41] 0.13 0.00 0.00 -[41] 0.09 0.00 0.00 +[41] 6.34 0.05 0.05 +[41] 0.58 0.00 0.00 +[41] 0.11 0.00 0.00 @@ -8232,66 +8263,66 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.91 1.00 -0.14 -0.10 -0.31 0.09 -[73] 0.30 -0.00 -0.01 -0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 2. 0.91 1.00 -0.11 -0.21 -0.18 0.09 -[73] 0.30 -0.00 0.00 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 3. 0.91 1.00 -0.17 -0.19 -0.09 0.09 -[73] 0.30 0.00 0.01 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.041 +[37] C 1. 0.95 1.00 -0.13 -0.10 -0.29 0.11 +[73] 0.42 -0.01 0.01 0.02 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.061 0.075 -[37] C 4. 0.91 1.00 -0.25 -0.06 -0.16 0.09 -[73] 0.30 0.00 0.00 0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 2. 0.95 1.00 -0.11 -0.19 -0.18 0.11 +[73] 0.42 -0.00 0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.076 -[37] C 5. 0.91 1.00 -0.22 -0.01 -0.28 0.09 -[73] 0.30 0.00 0.00 0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 3. 0.95 1.00 -0.19 -0.20 -0.09 0.11 +[73] 0.42 -0.01 -0.02 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.078 -[37] C 11. 0.56 1.00 -0.10 -0.08 -0.44 0.07 -[73] 0.01 -0.00 -0.00 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 4. 0.95 1.00 -0.26 -0.05 -0.17 0.11 +[73] 0.42 -0.01 0.00 0.00 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.075 0.061 0.075 -[37] C 12. 0.56 1.00 -0.01 -0.33 -0.14 0.07 -[73] 0.01 -0.01 0.00 -0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.049 0.039 0.048 +[37] C 5. 0.95 1.00 -0.21 -0.01 -0.28 0.11 +[73] 0.42 0.00 -0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.076 0.061 0.074 -[37] C 13. 0.56 1.00 -0.18 -0.26 0.05 0.07 -[73] 0.01 -0.00 -0.01 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 +[73] 0.22 0.04 0.00 -0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.206 0.169 0.205 -[37] C 14. 0.56 1.00 -0.33 -0.01 -0.06 0.07 -[73] 0.01 -0.00 0.00 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 +[73] 0.22 0.02 0.01 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.203 0.167 0.195 -[37] C 15. 0.56 1.00 -0.27 0.13 -0.37 0.07 -[73] 0.01 -0.01 -0.01 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 13. 0.54 1.00 -0.18 -0.25 0.04 0.11 +[73] 0.22 -0.00 0.03 0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.209 0.168 0.200 -[37] C 100. 0.44 4.00 -0.20 -0.14 -0.22 0.00 - -1.5155 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 14. 0.54 1.00 -0.34 0.00 -0.10 0.11 +[73] 0.22 -0.02 -0.01 -0.03 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.212 0.167 0.207 -[37] C 200. 2.17 4.00 -0.20 -0.14 -0.23 0.02 - -0.0767 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.09 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 -[84] Mean C-C su = 0.03 +[37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 +[73] 0.22 0.03 0.00 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.207 0.163 0.203 + +[37] C 100. 0.22 4.00 -0.16 -0.09 -0.18 0.04 + -2.1337 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.31 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 + +[37] C 200. 2.28 4.00 -0.16 -0.10 -0.19 0.06 + -1.1126 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.23 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 +[84] Mean C-C su = 0.11 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8314,30 +8345,30 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 h k l Fo Fc -[61] 2. 10. 0. 2. 2. -[61] 3. 10. 0. 2. 4. -[61] -8. -7. 1. 3. 4. -[61] 0. -7. 1. 4. 3. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. +[61] 3. 10. 0. 2. 3. +[61] -3. -6. 1. 4. 6. [61] 10. -4. 1. 3. 5. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. -[61] 10. -1. 1. 2. 4. -[61] 4. 0. 1. 23. 16. +[61] 10. -1. 1. 2. 5. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. -[61] 2. 1. 1. 14. 19. -[61] 4. 2. 1. 17. 11. -[61] 2. 10. 1. 3. 4. -[61] -5. -5. 2. 4. 6. +[61] -5. -5. 2. 4. 7. [61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 3. -[61] 9. -3. 2. 3. 6. +[61] 9. -3. 2. 3. 5. [61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. +[61] 4. -1. 2. 7. 3. +[61] 9. -1. 2. 2. 4. +[61] 9. 0. 2. 2. 5. +[61] 5. 2. 2. 3. 6. +[61] 4. 4. 2. 6. 3. +[61] 3. -6. 3. 3. 1. +[61] 8. -4. 3. 3. 5. +[61] -2. -3. 3. 8. 12. +[61] 8. -3. 3. 3. 6. +[61] 8. -2. 3. 1. 3. +[61] 8. -1. 3. 1. 3. +[61] 8. 0. 3. 2. 3. And so on ------------ @@ -8346,7 +8377,7 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 8. 20. ************ +[62] 8. 21. ************ *** *** @@ -8354,14 +8385,14 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 [33] 33000 32000 2700 On scale of /FC/ -[32] 211780 205420 17410 0.25 E+06 On scale of /FO/ +[32] 211780 205850 17550 0.26 E+06 On scale of /FO/ - New scale factor (G) is 6.326, 2803 reflections used in refinement + New scale factor (G) is 6.346, 2803 reflections used in refinement Structure factor least squares calculation 7 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.47 -LS-scale= 6.326 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 6.346 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8379,9 +8410,9 @@ LS-scale= 6.326 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.88E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 5.88E-05 -[14] S/ESD 2 2 0.030 0.1E+00 0.24 E-01 1.2 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.229 -0.5E+00 0.45 E-01 -5.0 C 1 OCC Composite Composite @@ -8402,7 +8433,8 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 6 6 -0.015 -0.4E+00 0.36 E-02 -4.2 C 1 U[ISO] +[14] S/ESD 5 5 -0.015 -0.8E+00 0.45 E-02 -3.3 C 1 Z +[14] S/ESD 6 6 -0.039 -0.8E+00 0.46 E-02 -8.6 C 1 U[ISO] Composite Composite @@ -8419,7 +8451,13 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 19 19 -0.042 -0.3E+01 0.19 E-01 -2.2 C 11 OCC +[14] S/ESD 8 8 -0.014 -0.8E+00 0.34 E-02 -4.1 C 2 Y +[14] S/ESD 9 9 -0.014 -0.8E+00 0.47 E-02 -2.9 C 2 Z +[14] S/ESD 10 10 0.013 -0.7E+00 0.39 E-02 3.4 C 3 X +[14] S/ESD 11 11 0.014 -0.5E+00 0.36 E-02 3.9 C 3 Y +[14] S/ESD 16 16 -0.010 -0.1E+01 0.36 E-02 -2.8 C 5 X +[14] S/ESD 18 18 -0.013 -0.8E+00 0.46 E-02 -2.8 C 5 Z +[14] S/ESD 19 19 -0.142 -0.6E+00 0.29 E-01 -4.8 C 11 OCC Composite Composite @@ -8440,8 +8478,7 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 22 22 -0.010 0.1E+01 0.50 E-02 -2.1 C 11 Z -[14] S/ESD 23 23 0.013 0.2E+01 0.14 E-02 9.1 C 11 U[ISO] +[14a] LARGE 22 22 0.032 -0.2E+01 0.76 E-02 4.2 C 11 Z Composite Composite @@ -8514,19 +8551,23 @@ Block No 1. Single precision relative error: 5.88E-05 Composite +[14] S/ESD 26 26 0.014 0.5E+01 0.77 E-02 1.9 C 12 Z +[14] S/ESD 30 30 0.010 -0.4E+00 0.63 E-02 1.5 C 14 X +[14] S/ESD 32 32 0.012 -0.3E+00 0.78 E-02 1.6 C 14 Z +[14] S/ESD 34 34 0.010 0.4E+01 0.58 E-02 1.8 C 15 Y for 35 parameters [64] The rms (shift/su) = 2. [64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 9.1 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 8.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 8.2 0.10E+03 +All cycle R-factor 0.0 8.3 0.10E+03 All cycle Rw 0.0 21. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.25E+06 0.10E+16 -Inter cycle R-factor -5.0 2.0 0.10E+03 -Inter cycle Rw -5.0 3.1 0.10E+03 +All cycle Min function 0.0 0.26E+06 0.10E+16 +Inter cycle R-factor -5.0 5.2 0.10E+03 +Inter cycle Rw -5.0 6.8 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8539,8 +8580,8 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.25E+06 0.0E+00 0.25E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.26E+06 0.0E+00 0.26E+06 +[45] Hamilton weighted R-value 21. 0.00 21. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8553,16 +8594,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.02 -0.02 +[38] Mean -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.018 0.015 0.015 -[71] R.M.S. 0. 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.038 0.049 +[71] R.M.S. 0. 0.19 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.077 0.075 0.125 -[70] Maximum 0. 0.04 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.097 0.090 0.095 +[70] Maximum 0. 0.22 0.03 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.150 0.135 0.282 [03] Reversals @@ -8593,7 +8634,7 @@ Inter cycle Rw -5.0 3.1 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 +[41] 6.34 0.05 0.05 [41] -0.00 0.00 0.00 [41] 0.08 0.00 0.00 @@ -8604,66 +8645,66 @@ Inter cycle Rw -5.0 3.1 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.94 1.00 -0.13 -0.10 -0.30 0.07 -[73] 0.03 0.00 -0.00 0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.034 +[37] C 1. 0.72 1.00 -0.13 -0.10 -0.31 0.07 +[73] -0.22 -0.00 -0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.042 0.033 0.040 -[37] C 2. 0.94 1.00 -0.11 -0.21 -0.19 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.029 0.035 +[37] C 2. 0.72 1.00 -0.11 -0.21 -0.19 0.07 +[73] -0.22 -0.00 -0.01 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.032 0.041 -[37] C 3. 0.94 1.00 -0.18 -0.20 -0.09 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.037 0.029 0.035 +[37] C 3. 0.72 1.00 -0.18 -0.19 -0.10 0.07 +[73] -0.22 0.01 0.01 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.034 0.041 + +[37] C 4. 0.72 1.00 -0.25 -0.05 -0.17 0.07 +[73] -0.22 0.00 -0.00 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.033 0.041 + +[37] C 5. 0.72 1.00 -0.22 0.00 -0.29 0.07 +[73] -0.22 -0.01 0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.034 0.040 -[37] C 4. 0.94 1.00 -0.25 -0.06 -0.16 0.07 -[73] 0.03 -0.00 0.00 0.00 -0.01 +[37] C 11. 0.40 1.00 -0.07 -0.06 -0.43 0.10 +[73] -0.14 0.00 0.00 0.03 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.035 +[31] 0.068 0.054 0.067 -[37] C 5. 0.94 1.00 -0.22 -0.01 -0.29 0.07 -[73] 0.03 -0.00 0.00 -0.00 -0.01 +[37] C 12. 0.40 1.00 0.00 -0.31 -0.14 0.10 +[73] -0.14 0.00 -0.00 0.01 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.036 0.028 0.035 +[31] 0.069 0.056 0.067 -[37] C 11. 0.52 1.00 -0.11 -0.09 -0.45 0.08 -[73] -0.04 -0.00 -0.00 -0.01 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 13. 0.40 1.00 -0.18 -0.25 0.04 0.10 +[73] -0.14 -0.00 -0.00 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.072 0.057 0.069 -[37] C 12. 0.52 1.00 -0.01 -0.33 -0.15 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[37] C 14. 0.40 1.00 -0.33 0.00 -0.08 0.10 +[73] -0.14 0.01 0.00 0.01 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.054 0.068 -[37] C 13. 0.52 1.00 -0.18 -0.27 0.05 0.08 -[73] -0.04 -0.00 -0.00 0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 15. 0.40 1.00 -0.24 0.15 -0.36 0.10 +[73] -0.14 -0.00 0.01 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.055 0.068 -[37] C 14. 0.52 1.00 -0.33 -0.01 -0.06 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[37] C 100. 1.36 4.00 -0.16 -0.10 -0.19 0.04 +[22] 1.14 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.22 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 -[37] C 15. 0.52 1.00 -0.27 0.12 -0.38 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 - -[37] C 100. 0.29 4.00 -0.18 -0.12 -0.21 0.02 - -0.1516 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.12 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 - -[37] C 200. 2.38 4.00 -0.19 -0.12 -0.22 0.03 -[22] 0.21 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.09 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 -[84] Mean C-C su = 0.03 +[37] C 200. 2.99 4.00 -0.17 -0.10 -0.20 0.05 +[22] 0.71 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.14 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8686,18 +8727,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 h k l Fo Fc +[61] 1. 1. 0. 59. 77. [61] -11. 2. 0. 1. 3. -[61] -6. 6. 0. 8. 6. -[61] 0. 6. 0. 16. 12. -[61] 1. 7. 0. 11. 8. -[61] 3. 10. 0. 2. 3. +[61] -6. 6. 0. 8. 5. [61] -2. -11. 1. 5. 6. [61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. [61] -7. -5. 1. 8. 6. -[61] -6. -5. 1. 7. 5. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. @@ -8706,10 +8741,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [61] 10. -2. 1. 2. 4. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. -[61] 4. 0. 1. 23. 16. +[61] 4. 0. 1. 23. 17. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. +[61] 0. 5. 1. 7. 5. +[61] -8. -7. 2. 2. 3. +[61] -5. -5. 2. 4. 6. +[61] -8. -4. 2. 10. 7. +[61] 9. -4. 2. 2. 4. +[61] -2. -3. 2. 15. 20. +[61] 5. -3. 2. 5. 3. +[61] 9. -3. 2. 3. 5. And so on ------------ @@ -8718,22 +8759,22 @@ Inter cycle Rw -5.0 3.1 0.10E+03 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 7. 20. ************ +[62] 7. 19. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2600 On scale of /FC/ +[33] 33000 32000 2500 On scale of /FC/ -[32] 211780 205320 16930 0.23 E+06 On scale of /FO/ +[32] 211780 205760 16140 0.22 E+06 On scale of /FO/ - New scale factor (G) is 6.324, 2803 reflections used in refinement + New scale factor (G) is 6.344, 2803 reflections used in refinement Structure factor least squares calculation 8 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.48 -LS-scale= 6.324 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.344 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8751,30 +8792,9 @@ LS-scale= 6.324 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.59E-05 -[14] S/ESD 2 2 -0.276 -0.9E+01 0.31 E-01 -8.6 C 1 OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - -[14] S/ESD 19 19 -0.068 0.2E+01 0.23 E-01 -2.9 C 11 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.151 0.7E+00 0.39 E-01 -3.8 C 1 OCC Composite Composite @@ -8795,7 +8815,7 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 23 23 0.010 0.8E+00 0.17 E-02 6.1 C 11 U[ISO] +[14] S/ESD 23 23 -0.010 0.1E+01 0.15 E-02 -6.4 C 11 U[ISO] Composite Composite @@ -8868,23 +8888,20 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 27 27 -0.011 0.2E+02 0.49 E-02 -2.2 C 13 X -[14] S/ESD 28 28 -0.011 0.2E+01 0.45 E-02 -2.4 C 13 Y -[14] S/ESD 29 29 -0.010 -0.5E+01 0.60 E-02 -1.7 C 13 Z -[14] S/ESD 32 32 -0.010 0.3E+01 0.61 E-02 -1.7 C 14 Z +[14] S/ESD 27 27 0.013 -0.2E+02 0.74 E-02 1.7 C 13 X for 35 parameters -[64] The rms (shift/su) = 2. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 8.6 , for Parameter 2, C1OCC +[64] The rms (shift/su) = 1. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 6.4 , for Parameter 23, C11U[11] Min Actual Max -All cycle R-factor 0.0 8.0 0.10E+03 +All cycle R-factor 0.0 7.6 0.10E+03 All cycle Rw 0.0 20. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.24E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.2 0.1 E+03 -[26] Inter cycle Rw -5.0 0.6 0.1 E+03 +All cycle Min function 0.0 0.23E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.6 0.1 E+03 +Inter cycle Rw -5.0 1.5 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8897,8 +8914,8 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.23E+06 0.0E+00 0.23E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.22E+06 0.0E+00 0.22E+06 +[45] Hamilton weighted R-value 19. 0.00 19. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8911,16 +8928,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.15 -0.17 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.01 -0.01 +[38] Mean -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.018 -[71] R.M.S. 0. 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.061 0.058 +[71] R.M.S. 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.069 0.041 0.045 -[70] Maximum 0. 0.27 0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.106 0.091 +[70] Maximum 0. 0.15 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.147 0.066 0.079 [03] Reversals @@ -8952,7 +8969,7 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.01 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -8962,66 +8979,66 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.66 1.00 -0.13 -0.10 -0.30 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 1. 0.57 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 2. 0.66 1.00 -0.11 -0.20 -0.18 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 2. 0.57 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.15 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.036 0.028 0.035 -[37] C 3. 0.66 1.00 -0.17 -0.19 -0.09 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 3. 0.57 1.00 -0.18 -0.19 -0.10 0.06 +[73] -0.15 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.035 -[37] C 4. 0.66 1.00 -0.25 -0.06 -0.16 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 4. 0.57 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.034 0.028 0.034 -[37] C 5. 0.66 1.00 -0.22 -0.01 -0.28 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 5. 0.57 1.00 -0.22 0.00 -0.29 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 11. 0.45 1.00 -0.11 -0.09 -0.46 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 11. 0.38 1.00 -0.07 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.052 0.042 0.051 +[31] 0.079 0.064 0.078 -[37] C 12. 0.45 1.00 -0.02 -0.33 -0.16 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.079 0.064 0.077 -[37] C 13. 0.45 1.00 -0.19 -0.28 0.04 0.09 -[73] -0.06 -0.01 -0.01 -0.01 0.01 +[37] C 13. 0.38 1.00 -0.16 -0.24 0.05 0.09 +[73] -0.01 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.083 0.065 0.080 -[37] C 14. 0.45 1.00 -0.34 -0.02 -0.07 0.09 -[73] -0.06 -0.00 -0.00 -0.01 0.01 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.082 0.064 0.080 -[37] C 15. 0.45 1.00 -0.28 0.11 -0.38 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 +[73] -0.01 -0.00 0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.081 0.064 0.080 -[37] C 100. 1.67 4.00 -0.17 -0.11 -0.20 0.03 -[22] 1.38 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.15 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[37] C 100. 2.12 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.75 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.19 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 -[37] C 200. 2.73 4.00 -0.18 -0.11 -0.21 0.04 -[22] 0.34 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.11 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 -[84] Mean C-C su = 0.03 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.09 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.13 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -9044,30 +9061,30 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 h k l Fo Fc +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. +[61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] 6. 5. 1. 5. 4. +[61] -2. 1. 1. 62. 76. +[61] 1. 6. 1. 13. 10. [61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. -[61] 9. -3. 2. 3. 5. -[61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. -[61] 9. -1. 2. 2. 3. And so on ------------ @@ -9082,16 +9099,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2500 On scale of /FC/ +[33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205390 15850 0.21 E+06 On scale of /FO/ +[32] 211780 205530 15810 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.336, 2803 reflections used in refinement + New scale factor (G) is 6.338, 2803 reflections used in refinement Structure factor least squares calculation 9 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.336 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.338 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9109,17 +9126,9 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.40E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.40E-04 -[14] S/ESD 2 2 -0.192 0.7E+00 0.35 E-01 -5.3 C 1 OCC - Composite - - Composite - - Composite - - Composite - +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.063 0.4E+00 0.35 E-01 -1.8 C 1 OCC Composite Composite @@ -9132,7 +9141,6 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 6 6 -0.015 0.8E+01 0.37 E-02 -4.1 C 1 U[ISO] Composite Composite @@ -9149,7 +9157,6 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 19 19 -0.043 0.6E+00 0.24 E-01 -1.7 C 11 OCC Composite Composite @@ -9158,103 +9165,19 @@ Block No 1. Single precision relative error: 1.40E-04 Composite - Composite - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - - for 35 parameters -[64] The rms (shift/su) = 1. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 5.3 , for Parameter 2, C1OCC + for 35 parameters +[64] The rms (shift/su) = 0. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 1.8 , for Parameter 2, C1OCC Min Actual Max All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd All cycle Min function 0.0 0.22E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.5 0.1 E+03 -[26] Inter cycle Rw -5.0 0.7 0.1 E+03 +[26] Inter cycle R-factor -5.0 0.1 0.1 E+03 +[26] Inter cycle Rw -5.0 0.3 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -9281,16 +9204,16 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.04 -0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 0.00 0.00 +[38] Mean -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] -0.000 0.000 0.001 -[71] R.M.S. 0. 0.13 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.032 0.046 +[71] R.M.S. 0. 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.030 0.023 -[70] Maximum 0. 0.19 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.052 0.071 +[70] Maximum 0. 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.084 0.044 0.037 [03] Reversals @@ -9322,7 +9245,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9332,65 +9255,65 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.47 1.00 -0.14 -0.10 -0.30 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.037 +[31] 0.041 0.033 0.040 -[37] C 2. 0.47 1.00 -0.12 -0.21 -0.19 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 3. 0.47 1.00 -0.18 -0.19 -0.09 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 4. 0.51 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.052 0.064 +[31] 0.077 0.061 0.075 -[37] C 12. 0.40 1.00 -0.02 -0.33 -0.15 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.051 0.062 +[31] 0.075 0.061 0.074 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.04 -0.00 -0.00 -0.00 0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.063 +[31] 0.078 0.062 0.075 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.04 -0.00 0.00 -0.00 0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.064 +[31] 0.077 0.061 0.076 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.36 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.051 0.063 +[31] 0.077 0.061 0.076 -[37] C 100. 2.63 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.96 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.17 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 100. 2.44 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.31 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.05 -[22] 0.21 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.12 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 200. 3.14 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.05 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9415,30 +9338,30 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. +[61] -11. -2. 1. 2. 1. [61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. And so on ------------ @@ -9455,13 +9378,13 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205450 15700 0.21 E+06 On scale of /FO/ +[32] 211780 205500 15780 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.339, 2803 reflections used in refinement + New scale factor (G) is 6.337, 2803 reflections used in refinement Structure factor least squares calculation 10 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.339 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.337 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9480,91 +9403,19 @@ LS-scale= 6.339 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.75E-04 - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 1.0 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 0.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 +All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9589,16 +9440,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[38] Mean -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[89] 0.00 0.00 0.00 -[71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.016 +[71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.012 0.009 0.009 -[70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.027 0.030 +[70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.017 [03] Reversals @@ -9629,8 +9480,8 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] 6.33 0.05 0.05 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9640,65 +9491,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.02 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.01 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.44 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.49 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.01 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.043 -[37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.02 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 -[73] -0.02 -0.00 -0.00 0.00 -0.00 +[37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.079 0.063 0.077 -[37] C 12. 0.40 1.00 -0.01 -0.33 -0.15 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.071 +[31] 0.078 0.063 0.076 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.080 0.063 0.077 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.059 0.073 +[31] 0.079 0.062 0.078 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.079 0.063 0.078 -[37] C 100. 2.77 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.14 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.08 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.04 -[22] 0.00 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 + -0.0420 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9722,30 +9573,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 5. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -2. -11. 2. 3. 3. And so on ------------ @@ -9762,13 +9613,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 11 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9787,21 +9638,93 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.70E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.70E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.2 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.1 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-02 0.1 E+03 -[25] Inter cycle Rw -5.0 0. E-01 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-01 0.1 E+03 +[25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -9828,16 +9751,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.005 0.005 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.011 +[31] 0.010 0.011 0.007 [03] Reversals @@ -9868,7 +9791,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9879,65 +9802,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.077 0.062 0.076 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 -0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.074 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.078 0.062 0.076 -[37] C 14. 0.41 1.00 -0.34 -0.02 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.078 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.078 0.061 0.076 -[37] C 100. 2.81 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.04 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.02 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 -[37] C 200. 2.94 4.00 -0.17 -0.11 -0.20 0.04 - -0.0154 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 + -0.0145 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9961,30 +9884,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10001,13 +9924,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 12 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10026,20 +9949,20 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.1 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 24, C12X Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-03 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-02 0.1 E+03 [25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -10067,16 +9990,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.006 0.004 0.003 [03] Reversals @@ -10107,7 +10030,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10118,65 +10041,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.077 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.078 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 -0.00 0.00 -0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0072 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10200,20 +10123,18 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. [61] -1. -1. 1. 62. 77. @@ -10223,7 +10144,9 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10240,13 +10163,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 13 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10265,16 +10188,16 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.66E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.0 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd Forced termination after this cycle: Actual value condition on: shift/esd @@ -10302,16 +10225,16 @@ All cycle Rw 0.0 19. 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.003 0.004 0.001 [03] Reversals @@ -10342,7 +10265,7 @@ All cycle Rw 0.0 19. 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10353,65 +10276,65 @@ All cycle Rw 0.0 19. 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.077 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.060 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.075 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10613,7 +10536,7 @@ All cycle Rw 0.0 19. 0.10E+03 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 24 serial number 40 Address 336755 Length 90 Created on + Print list type 24 serial number 40 Address 333911 Length 90 Created on @@ -10623,7 +10546,6 @@ All cycle Rw 0.0 19. 0.10E+03 CALCULATED APPLIED 0.000 0.000 - -0.001 -0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10641,6 +10563,7 @@ All cycle Rw 0.0 19. 0.10E+03 0.000 0.000 0.000 0.000 0.000 0.000 + 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10867,8 +10790,8 @@ LS-scale= 6.302 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.27E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.27E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.341 0.0E+00 0.151E+00 2.26 SCALE for 35 parameters @@ -10909,12 +10832,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.041 +[31] 0.034 0.026 0.041 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.056 0.077 +[31] 0.058 0.057 0.077 [03] Reversals @@ -10959,62 +10882,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.065 +[31] 0.067 0.054 0.065 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.068 0.055 0.067 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.067 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.053 0.067 +[31] 0.069 0.054 0.067 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0111 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11103,8 +11026,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.89E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.89E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11181,15 +11104,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.005 0.007 +[31] 0.010 0.005 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.010 0.013 +[31] 0.020 0.010 0.013 [03] Reversals @@ -11234,62 +11157,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0649 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11378,8 +11301,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.80E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.80E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -11420,15 +11343,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -11473,62 +11396,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11617,8 +11540,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.77E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11675,15 +11598,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -11728,62 +11651,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0055 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11893,8 +11816,8 @@ LS-scale= 5.752 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 5.86E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 6E-04 [13] LARGE 1 1 7.0 0.0E+00 0.2 E+00 32.0 SCALE [14] S/ESD 2 2 0.521 0.0E+00 0.51 E-01 10.2 C 1 OCC Composite @@ -12056,15 +11979,15 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [38] Mean 7.06 0.28 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.036 0.031 0.028 +[31] 0.036 0.031 0.029 [71] R.M.S. 7. 0.36 0.04 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.122 0.114 0.168 +[31] 0.122 0.115 0.169 [70] Maximum 7. 0.52 0.06 0.02 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.235 0.286 0.319 +[31] 0.236 0.286 0.320 [03] Reversals @@ -12109,62 +12032,62 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [37] C 1. 0.94 1.00 -0.13 -0.09 -0.29 0.11 [73] 0.52 -0.00 0.00 0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 2. 0.94 1.00 -0.10 -0.20 -0.18 0.11 [73] 0.52 0.02 0.00 0.00 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.078 0.060 0.075 +[31] 0.078 0.061 0.076 [37] C 3. 0.94 1.00 -0.18 -0.19 -0.09 0.11 [73] 0.52 0.00 -0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 4. 0.94 1.00 -0.25 -0.05 -0.16 0.11 [73] 0.52 0.00 0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.076 +[31] 0.076 0.062 0.076 [37] C 5. 0.94 1.00 -0.22 0.00 -0.28 0.11 [73] 0.52 -0.00 -0.00 -0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.062 0.075 [37] C 11. 0.56 1.00 -0.09 -0.06 -0.46 0.12 [73] 0.04 0.00 0.00 -0.03 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.137 0.109 0.132 +[31] 0.137 0.110 0.132 [37] C 12. 0.56 1.00 -0.01 -0.30 -0.15 0.12 [73] 0.04 -0.01 0.03 -0.01 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.108 0.128 +[31] 0.134 0.108 0.128 [37] C 13. 0.56 1.00 -0.19 -0.25 0.04 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.134 0.108 0.131 +[31] 0.135 0.108 0.131 [37] C 14. 0.56 1.00 -0.33 0.00 -0.08 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.136 0.106 0.132 +[31] 0.137 0.106 0.132 [37] C 15. 0.56 1.00 -0.25 0.13 -0.35 0.12 [73] 0.04 0.01 -0.00 0.02 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.105 0.130 +[31] 0.134 0.105 0.130 [37] C 100. 0.25 4.00 -0.15 -0.09 -0.18 0.05 -2.6050 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.25 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [37] C 200. 2.18 4.00 -0.15 -0.09 -0.19 0.06 -0.2304 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.23 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [84] Mean C-C su = 0.08 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12253,8 +12176,8 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.72E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.153 -0.3E+00 0.47 E-01 -3.2 C 1 OCC Composite @@ -12434,15 +12357,15 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [38] Mean -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.015 +[31] 0.020 0.016 0.016 [71] R.M.S. 0. 0.13 0.03 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.074 0.082 0.132 +[31] 0.075 0.083 0.132 [70] Maximum 0. 0.15 0.04 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.171 0.169 0.317 +[31] 0.171 0.169 0.317 [03] Reversals @@ -12487,62 +12410,62 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [37] C 1. 0.79 1.00 -0.13 -0.09 -0.31 0.06 [73] -0.15 -0.00 0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.040 +[31] 0.043 0.034 0.040 [37] C 2. 0.79 1.00 -0.11 -0.21 -0.19 0.06 [73] -0.15 -0.00 -0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.033 0.042 +[31] 0.043 0.033 0.042 [37] C 3. 0.79 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.15 0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 4. 0.79 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.15 -0.00 -0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[31] 0.041 0.033 0.041 [37] C 5. 0.79 1.00 -0.22 0.00 -0.28 0.06 [73] -0.15 -0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.040 +[31] 0.042 0.034 0.041 [37] C 11. 0.45 1.00 -0.08 -0.06 -0.43 0.11 [73] -0.10 0.00 0.00 0.03 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.066 +[31] 0.069 0.054 0.067 [37] C 12. 0.45 1.00 0.00 -0.31 -0.14 0.11 [73] -0.10 0.01 -0.01 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.068 0.056 0.067 +[31] 0.069 0.057 0.067 [37] C 13. 0.45 1.00 -0.18 -0.25 0.05 0.11 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.070 0.056 0.068 [37] C 14. 0.45 1.00 -0.33 0.00 -0.07 0.11 [73] -0.10 0.00 0.00 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.068 +[31] 0.070 0.054 0.068 [37] C 15. 0.45 1.00 -0.25 0.15 -0.36 0.11 [73] -0.10 -0.00 0.01 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.067 +[31] 0.070 0.054 0.068 [37] C 100. 1.02 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.76 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.23 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.72 4.00 -0.16 -0.10 -0.19 0.05 [22] 0.54 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.15 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12631,8 +12554,8 @@ LS-scale= 6.331 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.173 0.1E+01 0.41 E-01 -4.1 C 1 OCC Composite @@ -12790,15 +12713,15 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [38] Mean -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.025 0.024 +[31] 0.030 0.026 0.025 [71] R.M.S. 0. 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.053 0.051 +[31] 0.056 0.053 0.052 [70] Maximum 0. 0.17 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.130 0.084 +[31] 0.119 0.130 0.084 [03] Reversals @@ -12843,62 +12766,62 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 0.62 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.17 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 2. 0.62 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.17 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.024 0.031 +[31] 0.032 0.024 0.031 [37] C 3. 0.62 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.17 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.031 +[31] 0.032 0.025 0.031 [37] C 4. 0.62 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.031 [37] C 5. 0.62 1.00 -0.22 0.00 -0.28 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 11. 0.39 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.06 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.074 0.059 0.072 [37] C 12. 0.39 1.00 0.00 -0.30 -0.13 0.09 [73] -0.06 0.00 0.01 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.39 1.00 -0.17 -0.24 0.05 0.09 [73] -0.06 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.39 1.00 -0.32 0.01 -0.06 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.39 1.00 -0.25 0.15 -0.35 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.074 0.059 0.073 [37] C 100. 1.88 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.86 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.20 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [37] C 200. 3.04 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.31 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.13 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12987,8 +12910,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.104 0.6E+00 0.34 E-01 -2.9 C 1 OCC Composite @@ -13053,12 +12976,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.040 0.037 0.027 +[31] 0.040 0.037 0.027 [70] Maximum 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.075 0.080 0.047 +[31] 0.075 0.080 0.048 [03] Reversals @@ -13103,62 +13026,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.038 0.030 0.037 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 4. 0.51 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.037 +[31] 0.037 0.030 0.037 [37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.037 0.030 0.037 [37] C 11. 0.36 1.00 -0.09 -0.06 -0.44 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.075 0.060 0.073 [37] C 12. 0.36 1.00 0.00 -0.31 -0.14 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.060 0.072 [37] C 13. 0.36 1.00 -0.17 -0.24 0.05 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.36 1.00 -0.32 0.01 -0.06 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.059 0.074 [37] C 15. 0.36 1.00 -0.25 0.15 -0.36 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.060 0.074 [37] C 100. 2.40 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.52 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.11 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13248,8 +13171,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.95E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.95E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13289,12 +13212,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.010 +[31] 0.014 0.016 0.011 [70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.037 0.026 +[31] 0.033 0.037 0.026 [03] Reversals @@ -13339,62 +13262,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.02 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.49 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.49 1.00 -0.22 0.00 -0.28 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.37 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.064 0.078 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.063 0.076 [37] C 13. 0.37 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.37 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.080 0.063 0.078 [37] C 15. 0.37 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.080 0.063 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0468 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13483,8 +13406,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.86E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 Composite Composite @@ -13600,12 +13523,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.017 +[31] 0.018 0.020 0.018 [03] Reversals @@ -13650,62 +13573,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.062 0.076 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.074 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.075 +[31] 0.078 0.062 0.076 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.03 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0202 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13794,8 +13717,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.81E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13839,12 +13762,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.001 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.003 +[31] 0.007 0.009 0.004 [03] Reversals @@ -13889,62 +13812,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.077 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.075 0.061 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0093 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14033,8 +13956,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.59E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -14078,12 +14001,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.007 0.004 [03] Reversals @@ -14128,62 +14051,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.075 0.060 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.074 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14385,7 +14308,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 24 serial number 54 Address 448446 Length 90 Created on + Print list type 24 serial number 54 Address 445602 Length 90 Created on diff --git a/test_suite/INW64GH.org/slant.out b/test_suite/INW64GH.org/slant.out index 7437ca339..ac8320abb 100644 --- a/test_suite/INW64GH.org/slant.out +++ b/test_suite/INW64GH.org/slant.out @@ -9,7 +9,6 @@ #LIST 13 #LIST 29 #LIST 5 -Bonds: Update required - There is no list 41 #LIST 12 #LIST 23 #SET MIRROR ON @@ -31,6 +30,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -363,7 +365,6 @@ Space group symbol is P 4 # PUNCHED ON 26-JAN93 AT 11:35:34 # #LIST 5 -Bonds: Update required - List5 length change # # PUNCHED ON 26-JAN93 AT 11:35:36 # @@ -478,7 +479,6 @@ LS-scale= 1.000 Wilson Scale= 0.000 C 250 0.50 0.420-0.273 0.000 1 0.040 0.000 0.000 0.00 0.00 0.00 0.000 0 C 251 0.50 0.446-0.227-0.000 1 0.040 0.000 0.000 0.00 0.00 0.00 0.000 0 List 5 now contains 9 atom(s) -Bonds: Update required - List5 length change #MOLAX @@ -595,9 +595,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 8.70 -0.12 0.0 0.02 -0.00 0.00 0.00 -0.00 0.00 -[35] -0.12 6.28 0.0 -0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 8.71 -0.12 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 +[35] -0.12 6.28 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -622,9 +622,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 -0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -643,9 +643,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -697,7 +697,7 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 SLANT FOURIER TESTS IN P6122 Date Time - Print list type 20 serial number 6 Address 35657 Length 234 Created on + Print list type 20 serial number 6 Address 35537 Length 234 Created on diff --git a/test_suite/INW64GH.org/sphere.out b/test_suite/INW64GH.org/sphere.out index d6e69e31d..a351b0307 100644 --- a/test_suite/INW64GH.org/sphere.out +++ b/test_suite/INW64GH.org/sphere.out @@ -280,7 +280,6 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #LIST 28 #LIST 30 #LIST 5 -Bonds: Update required - There is no list 41 #LIST 12 # NOFSQ, NOANOM #LIST 23 @@ -292,6 +291,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -398,8 +400,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -439,12 +441,12 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -489,22 +491,22 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -586,8 +588,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -624,15 +626,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -677,22 +679,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -801,8 +803,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.014 0.0E+00 0.592E-02 -2.30 SCALE Composite @@ -850,12 +852,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [03] Reversals @@ -900,22 +902,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -973,8 +975,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.012 -0.1E+01 0.28 E-02 -4.3 O 1 U[33] for 16 parameters @@ -1019,12 +1021,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [03] Reversals @@ -1069,22 +1071,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1166,8 +1168,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1211,12 +1213,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -1261,22 +1263,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1358,8 +1360,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1396,15 +1398,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1449,22 +1451,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1547,8 +1549,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1585,15 +1587,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,22 +1640,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -2134,8 +2136,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2172,15 +2174,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.004 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.004 [03] Reversals @@ -2225,22 +2227,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2322,8 +2324,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2360,15 +2362,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2413,22 +2415,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -2537,8 +2539,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.016 0.0E+00 0.612E-02 -2.66 SCALE Composite @@ -2586,12 +2588,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [03] Reversals @@ -2636,22 +2638,22 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2711,8 +2713,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.02E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.013 -0.1E+01 0.31 E-02 -4.1 O 1 U[33] for 16 parameters @@ -2757,12 +2759,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.009 0.025 +[31] 0.016 0.010 0.025 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.009 0.025 +[31] 0.016 0.010 0.025 [03] Reversals @@ -2807,22 +2809,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2904,8 +2906,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2949,12 +2951,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [03] Reversals @@ -2999,22 +3001,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3096,8 +3098,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3137,12 +3139,12 @@ All cycle Rw 0.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3187,22 +3189,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3285,8 +3287,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3323,15 +3325,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3376,22 +3378,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3872,8 +3874,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3910,15 +3912,15 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [03] Reversals @@ -3963,22 +3965,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4060,8 +4062,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4101,12 +4103,12 @@ All cycle Rw 0.0 8.4 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4151,22 +4153,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -4275,8 +4277,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.79E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.014 0.0E+00 0.590E-02 -2.38 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.11 E-02 9.2 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.44 E-02 2.5 O 1 U[33] @@ -4320,12 +4322,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] -0.05 -0.05 0.09 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [03] Reversals @@ -4370,22 +4372,22 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.010 +[31] 0.013 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4443,8 +4445,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -4493,12 +4495,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 0.00 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.009 0.030 +[31] 0.014 0.010 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.009 0.030 +[31] 0.014 0.010 0.030 [03] Reversals @@ -4543,22 +4545,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4632,8 +4634,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4677,12 +4679,12 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -4727,22 +4729,22 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4824,8 +4826,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.93E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4869,12 +4871,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4919,22 +4921,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5017,8 +5019,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5055,15 +5057,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5108,22 +5110,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -5604,8 +5606,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 Composite Composite @@ -5646,15 +5648,15 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [03] Reversals @@ -5699,22 +5701,22 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.01 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5796,8 +5798,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5841,12 +5843,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5891,22 +5893,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5988,8 +5990,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6026,15 +6028,15 @@ All cycle Rw 0.0 9.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6079,22 +6081,22 @@ All cycle Rw 0.0 9.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -6203,8 +6205,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.78E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.017 0.0E+00 0.610E-02 -2.74 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.0 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.46 E-02 2.5 O 1 U[33] @@ -6248,12 +6250,12 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [03] Reversals @@ -6298,22 +6300,22 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.08 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6373,8 +6375,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.00E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -6423,12 +6425,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 -0.01 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.011 0.033 +[31] 0.016 0.012 0.034 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.011 0.033 +[31] 0.016 0.012 0.034 [03] Reversals @@ -6473,22 +6475,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6564,8 +6566,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6609,12 +6611,12 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [03] Reversals @@ -6659,22 +6661,22 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6753,8 +6755,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6795,15 +6797,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6848,22 +6850,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6946,8 +6948,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6984,15 +6986,15 @@ All cycle Rw 0.0 9.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7037,22 +7039,22 @@ All cycle Rw 0.0 9.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 diff --git a/test_suite/INW64GH.org/td-part.out b/test_suite/INW64GH.org/td-part.out index f6d6c922a..664140401 100644 --- a/test_suite/INW64GH.org/td-part.out +++ b/test_suite/INW64GH.org/td-part.out @@ -64,7 +64,6 @@ Space group symbol is P 1 # PUNCHED ON 26/01/17 AT 13:33:47 # #LIST 5 -Bonds: Update required - There is no list 41 #BONDCALC FORCE # INPUT A TRADITIONAL LIST 6 #USE TD-PART-6.HKL @@ -195,8 +194,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -235,15 +234,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -377,8 +376,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -420,15 +419,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -562,8 +561,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -600,15 +599,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30128,8 +30127,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -30168,15 +30167,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30310,8 +30309,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -30353,15 +30352,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30495,8 +30494,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -30533,15 +30532,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals diff --git a/test_suite/INW64GH.org/td-syst-sort.out b/test_suite/INW64GH.org/td-syst-sort.out index 231ef7613..c30380530 100644 --- a/test_suite/INW64GH.org/td-syst-sort.out +++ b/test_suite/INW64GH.org/td-syst-sort.out @@ -66,7 +66,6 @@ Space group symbol is P 1 21/C 1 #LIST 28 #LIST 29 # COVALENT,VDW,IONIC,NUMBER,MUA,WEIGHT,COLOUR -Bonds: Update required - There is no list 41 #LIST 31 #LIST 39 # diff --git a/test_suite/INW64GH.org/td-tors.out b/test_suite/INW64GH.org/td-tors.out index cc2c14f3a..1ddcdeb42 100644 --- a/test_suite/INW64GH.org/td-tors.out +++ b/test_suite/INW64GH.org/td-tors.out @@ -36,7 +36,6 @@ Space group symbol is C 1 2/C 1 # PUNCHED ON 27/07/11 AT 08:25:58 # #LIST 5 -Bonds: Update required - There is no list 41 #CLOSE HKLI #OPEN HKLI "TD-TORS.HKL" #HKLI @@ -66,6 +65,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -339,8 +341,8 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.65E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.65E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 2E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -380,12 +382,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.000 +[31] 0.007 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.001 0.000 +[31] 0.013 0.001 0.001 [03] Reversals @@ -430,22 +432,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.004 0.006 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #TORS @@ -464,18 +466,18 @@ O 8 1 1 0 0 0 0.3999 0.0622 0.3236 Variance-covariance matrix of selected atoms (x10^6) -[35] 14.20 -10.62 -3.1 6.24 -1.65 1.35 0.84 1.50 0.48 -[35] -10.62 33.13 3.7 -1.53 9.25 0.64 -1.43 -0.60 -4.49 -[35] -3.11 3.70 7.8 1.18 0.58 5.17 4.90 -0.37 6.40 -[35] 6.24 -1.53 1.1 5.02 -0.25 1.89 4.12 0.21 1.71 -[35] -1.65 9.25 0.5 -0.25 5.50 0.12 -0.18 3.79 -0.73 -[35] 1.35 0.64 5.1 1.89 0.12 4.85 2.32 -0.09 4.94 -[35] 0.84 -1.43 4.9 4.12 -0.18 2.32 9.92 -1.65 4.26 -[35] 1.50 -0.60 -0.3 0.21 3.79 -0.09 -1.65 9.74 2.16 -[35] 0.48 -4.49 6.4 1.71 -0.73 4.94 4.26 2.16 7.66 -[35] 5.43 5.48 0.8 4.96 0.76 1.87 0.88 1.07 0.13 -[35] 2.28 0.22 -0.9 0.27 4.25 -0.06 2.28 1.27 -0.68 -[35] 5.83 3.28 1.7 2.63 0.61 4.51 -1.70 -2.11 1.04 +[35] 14.20 -10.62 -3.11 6.25 -1.66 1.35 0.84 1.50 0.48 +[35] -10.62 33.14 3.71 -1.54 9.26 0.64 -1.43 -0.60 -4.50 +[35] -3.11 3.71 7.84 1.19 0.59 5.17 4.90 -0.37 6.41 +[35] 6.25 -1.54 1.19 5.02 -0.26 1.89 4.12 0.21 1.72 +[35] -1.66 9.26 0.59 -0.26 5.51 0.13 -0.19 3.80 -0.74 +[35] 1.35 0.64 5.17 1.89 0.13 4.86 2.32 -0.09 4.94 +[35] 0.84 -1.43 4.90 4.12 -0.19 2.32 9.92 -1.65 4.27 +[35] 1.50 -0.60 -0.37 0.21 3.80 -0.09 -1.65 9.75 2.16 +[35] 0.48 -4.50 6.41 1.72 -0.74 4.94 4.27 2.16 7.67 +[35] 5.43 5.48 0.83 4.96 0.76 1.88 0.89 1.08 0.13 +[35] 2.28 0.23 -0.92 0.28 4.25 -0.06 2.29 1.27 -0.69 +[35] 5.84 3.29 1.78 2.63 0.62 4.52 -1.71 -2.11 1.05 @@ -572,11 +574,11 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.58E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.58E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 Inversion method: Automatic -Block No 2. Single precision relative error: 3.90E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.90E-07 +[80a] Block No 2. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 52 parameters [64] The rms (shift/su) = 0. @@ -616,12 +618,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [03] Reversals @@ -666,52 +668,52 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] CU 1. 1.00 0.00 0.44 -0.08 0.54 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] O 2. 1.00 0.00 0.40 0.12 0.57 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.43 0.25 0.55 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] O 4. 1.00 0.00 0.49 0.26 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.39 0.39 0.58 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] O 10. 1.00 0.00 0.37 -0.20 0.63 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.000 0.000 +[31] 0.004 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #USE TORSION.DAT @@ -748,18 +750,18 @@ O 10 1 1 0 1 0 0.3764 0.7910 0.6334 Variance-covariance matrix of selected atoms (x10^6) -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 diff --git a/test_suite/INW64GH.org/td_rest.out b/test_suite/INW64GH.org/td_rest.out index b8c43d7e8..b5ee393ed 100644 --- a/test_suite/INW64GH.org/td_rest.out +++ b/test_suite/INW64GH.org/td_rest.out @@ -242,11 +242,12 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. # PUNCHED ON 30/09/11 AT 12:38:09 # #LIST 5 -Bonds: Update required - There is no list 41 #LIST 16 #LIST 26 #CLEAR 17 #LIST 17 +#BONDCALC +Bonds: Update required - There is no list 41 #LIST 26 @@ -500,8 +501,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -539,15 +540,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -592,12 +593,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -814,8 +815,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -853,15 +854,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -906,12 +907,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1062,8 +1063,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1100,15 +1101,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1153,12 +1154,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1298,8 +1299,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1336,15 +1337,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1389,12 +1390,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1545,8 +1546,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.52E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.52E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 7 7 -0.025 0.0E+00 0.13 E-02 -18.8 C 7 U[11] [14] S/ESD 12 12 -0.011 0.0E+00 0.13 E-02 -8.3 C 7 U[12] @@ -1585,15 +1586,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,12 +1639,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1798,8 +1799,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.85E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 1 1 0.023 0.0E+00 0.12 E-02 18.1 O 6 U[11] [14] S/ESD 6 6 0.010 0.0E+00 0.12 E-02 8.0 O 6 U[12] @@ -1838,15 +1839,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1891,12 +1892,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.08 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2047,8 +2048,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9.36E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2085,15 +2086,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2138,12 +2139,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2283,8 +2284,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.93E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2321,15 +2322,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2374,12 +2375,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2532,10 +2533,10 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.56E-03 +[80a] Block No 1. Single precision relative error: 4E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 6.64E-12 -[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 6.64E-12 +[80a] Block No 1. Double precision relative error: 7E-12 +[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 7E-12 for 6 parameters [64] The rms (shift/su) = 0. @@ -2575,12 +2576,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.021 +[31] 0.011 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.027 +[31] 0.014 0.018 0.027 [03] Reversals @@ -2625,12 +2626,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.105 0.091 0.079 +[31] 0.105 0.091 0.080 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.124 0.108 0.081 +[31] 0.124 0.109 0.081 [84] Mean C-C su = 0.09 #CYCLENDS #CHECK HI @@ -2755,8 +2756,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.44E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6.44E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2796,12 +2797,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 -0.01 -0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.016 0.030 +[31] 0.011 0.017 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.023 0.041 +[31] 0.015 0.023 0.042 [03] Reversals @@ -2846,12 +2847,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.108 0.092 0.097 +[31] 0.108 0.093 0.097 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.106 0.047 +[31] 0.119 0.107 0.048 [84] Mean C-C su = 0.09 #CYCLENDS #SFLS @@ -2934,8 +2935,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.78E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 6.78E-04 +[80a] Block No 1. Single precision relative error: 7E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 7E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2975,12 +2976,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.001 0.006 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.002 0.008 +[31] 0.006 0.002 0.009 [03] Reversals @@ -3025,12 +3026,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.021 +[31] 0.024 0.021 0.022 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.024 0.010 +[31] 0.027 0.024 0.011 [84] Mean C-C su = 0.02 #CYCLENDS #CHECK HI diff --git a/test_suite/INW64GH.org/test-rest.out b/test_suite/INW64GH.org/test-rest.out index 6a9f0d51c..eb8160628 100644 --- a/test_suite/INW64GH.org/test-rest.out +++ b/test_suite/INW64GH.org/test-rest.out @@ -63,8 +63,8 @@ Refining 131 parameters in 1 block : 8924 elements in the LS matrix. #LIST 26 #BONDCALC #LIST 29 -Bonds: Update required - There is no list 41 #BONDCALC +Bonds: Update required - There is no list 41 #LIST 26 #CHECK @@ -308,8 +308,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.11E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 for 131 parameters [64] The rms (shift/su) = 1. @@ -349,12 +349,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.006 0.007 +[31] 0.014 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.016 0.015 +[31] 0.036 0.017 0.016 [03] Reversals @@ -399,102 +399,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.019 +[31] 0.023 0.022 0.019 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.027 0.026 0.025 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.024 0.024 +[31] 0.026 0.025 0.025 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.034 0.033 0.033 +[31] 0.034 0.033 0.034 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.027 +[31] 0.025 0.025 0.028 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.029 0.031 +[31] 0.033 0.030 0.032 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.032 +[31] 0.036 0.037 0.032 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.036 0.035 0.033 +[31] 0.037 0.035 0.034 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.017 +[31] 0.017 0.023 0.018 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -768,8 +768,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.45E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.45E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 121 parameters [64] The rms (shift/su) = 0. @@ -809,12 +809,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.007 0.006 +[31] 0.014 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.016 0.013 +[31] 0.037 0.017 0.013 [03] Reversals @@ -859,102 +859,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.017 +[31] 0.021 0.020 0.017 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.023 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.022 0.022 +[31] 0.023 0.022 0.022 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.029 +[31] 0.030 0.030 0.030 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.024 +[31] 0.022 0.022 0.025 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.026 0.028 +[31] 0.029 0.026 0.028 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.031 0.032 0.028 +[31] 0.032 0.033 0.029 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.030 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.015 +[31] 0.015 0.021 0.016 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -1134,8 +1134,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-04 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3.01E-04 +[80a] Block No 1. Single precision relative error: 3E-04 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3E-04 [14] S/ESD 98 98 -0.010 0.1E+01 0.10 E-01 -1.0 H 101 X for 121 parameters @@ -1176,12 +1176,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.013 0.021 +[31] 0.023 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.050 0.043 0.081 +[31] 0.050 0.044 0.081 [03] Reversals @@ -1226,102 +1226,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.003 0.004 0.004 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.007 0.003 0.013 +[31] 0.008 0.003 0.014 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.038 0.036 0.037 +[31] 0.038 0.037 0.037 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.037 0.036 0.035 +[31] 0.037 0.036 0.036 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.01 0.00 0.00 0.01 -[31] 0.049 0.047 0.048 +[31] 0.050 0.048 0.049 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.039 +[31] 0.036 0.036 0.040 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.017 0.027 0.036 +[31] 0.017 0.028 0.036 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.025 0.030 +[31] 0.031 0.026 0.030 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.028 0.025 0.039 +[31] 0.028 0.025 0.040 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.034 0.034 +[31] 0.035 0.034 0.034 [84] Mean C-C su = 0.00 #CYCLENDS #END diff --git a/test_suite/INW64GH.org/test1.out b/test_suite/INW64GH.org/test1.out index 2f6ccb859..117a28a81 100644 --- a/test_suite/INW64GH.org/test1.out +++ b/test_suite/INW64GH.org/test1.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -310,6 +309,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -469,8 +471,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +512,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +562,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +694,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +739,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +789,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +921,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +959,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1012,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1157,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1201,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1251,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1383,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1428,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1478,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1610,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1655,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1705,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1837,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1879,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1932,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2079,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2132,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2185,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2317,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2363,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2416,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2509,7 +2511,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2667,7 +2668,6 @@ LS-scale= 1.733 Wilson Scale= 0.000 with an R.M.S. deviation of 0.10 #PEAKS List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -2684,11 +2684,11 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3598,7 +3598,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -3967,8 +3966,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.83E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4008,12 +4007,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -4058,57 +4057,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4190,8 +4189,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.78E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4235,12 +4234,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -4285,57 +4284,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4417,8 +4416,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4462,12 +4461,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4512,57 +4511,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4657,8 +4656,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.025 0.0E+00 0.143E-01 1.76 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.7 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.0 N 6 U[ISO] @@ -4701,12 +4700,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4751,57 +4750,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4883,8 +4882,8 @@ LS-scale= 1.482 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -4928,12 +4927,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4978,57 +4977,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5110,8 +5109,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5155,12 +5154,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -5205,57 +5204,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5337,8 +5336,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5379,15 +5378,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -5432,57 +5431,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5579,8 +5578,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1E-05 S/ESD 1 1 0.023 0.0E+00 0.140E-01 1.62 SCALE [13] LARGE 2 2 46.8 0.0E+00 0.9 E+01 4.8 EXTPARAM [14] S/ESD 15 15 0.019 0.0E+00 0.38 E-02 5.0 O 3 U[11] @@ -5633,15 +5632,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 23.43 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 33. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 46. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5686,57 +5685,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5818,8 +5817,8 @@ LS-scale= 1.510 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.24E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.24E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 S/ESD 1 1 0.020 0.9E+00 0.128E-01 1.59 SCALE [44] Resetting shift for Extinction Shift= 46.0 Esd= 9.6 New shift= 9.37 [13] LARGE 2 2 9.3 0.1E+01 0.9 E+01 4.7 EXTPARAM @@ -5863,15 +5862,15 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [38] Mean 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 6. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 9. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5916,60 +5915,61 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -6011,7 +6011,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.05 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.05 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -6185,7 +6184,6 @@ LS-scale= 1.531 Wilson Scale= 0.000 [91] C 11. Q 2. 0.389 Deleted 4.1 List now contains 27 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -6202,9 +6200,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -6474,8 +6472,8 @@ LS-scale= 1.531 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.034 0.0E+00 0.111E-01 -3.06 SCALE [14] S/ESD 22 22 -0.041 0.0E+00 0.41 E-02 -10.1 C 4 U[ISO] [14] S/ESD 43 43 0.010 0.0E+00 0.11 E-02 8.6 O 8 U[ISO] @@ -6515,15 +6513,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.002 0.001 +[31] -0.000 0.003 0.001 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.009 +[31] 0.006 0.006 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.017 +[31] 0.012 0.013 0.017 [03] Reversals @@ -6568,57 +6566,57 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.03 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.010 0.009 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6700,8 +6698,8 @@ LS-scale= 1.497 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.28E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6742,15 +6740,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.007 +[31] 0.002 0.004 0.008 [03] Reversals @@ -6795,57 +6793,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6927,8 +6925,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.27E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6972,12 +6970,12 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.001 [03] Reversals @@ -7022,57 +7020,57 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -7115,7 +7113,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -7483,8 +7480,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -7525,12 +7522,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -7575,57 +7572,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -7707,8 +7704,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7752,12 +7749,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -7802,57 +7799,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7934,8 +7931,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7979,12 +7976,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -8029,57 +8026,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8174,8 +8171,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -8217,12 +8214,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -8267,57 +8264,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8399,8 +8396,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8444,12 +8441,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8494,57 +8491,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8626,8 +8623,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8671,12 +8668,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -8721,57 +8718,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8853,8 +8850,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8891,15 +8888,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8944,57 +8941,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9091,8 +9088,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -9146,15 +9143,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9199,57 +9196,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9331,8 +9328,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -9377,15 +9374,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9430,60 +9427,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -9525,7 +9523,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -9694,7 +9691,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -9711,9 +9707,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -9983,8 +9979,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -10023,15 +10019,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -10076,57 +10072,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10208,8 +10204,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10250,15 +10246,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -10303,57 +10299,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10435,8 +10431,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10480,12 +10476,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -10530,57 +10526,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -10623,7 +10619,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -10991,8 +10986,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -11033,12 +11028,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -11083,57 +11078,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -11215,8 +11210,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11260,12 +11255,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -11310,57 +11305,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11442,8 +11437,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11487,12 +11482,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -11537,57 +11532,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11682,8 +11677,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -11725,12 +11720,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -11775,57 +11770,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11907,8 +11902,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -11952,12 +11947,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -12002,57 +11997,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12134,8 +12129,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12179,12 +12174,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -12229,57 +12224,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12361,8 +12356,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12399,15 +12394,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12452,57 +12447,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -12599,8 +12594,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -12654,15 +12649,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12707,57 +12702,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12839,8 +12834,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -12885,15 +12880,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12938,60 +12933,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -13033,7 +13029,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -13202,7 +13197,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -13219,9 +13213,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -13491,8 +13485,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -13531,15 +13525,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -13584,57 +13578,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13716,8 +13710,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13758,15 +13752,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -13811,57 +13805,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13943,8 +13937,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13988,12 +13982,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14038,57 +14032,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GH.org/test2.out b/test_suite/INW64GH.org/test2.out index 348315948..13069439e 100644 --- a/test_suite/INW64GH.org/test2.out +++ b/test_suite/INW64GH.org/test2.out @@ -345,10 +345,11 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. LIST 4 weighting type is 1/FO #LIST 28 #LIST 5 +#EDIT +#BONDCALC Bonds: Update required - There is no list 41 #EDIT List 5 now contains 12 atom(s) -Bonds: Update required - List5 length change #EDIT List 5 now contains 12 atom(s) #EDIT @@ -357,12 +358,12 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted C 12 List 5 now contains 10 atom(s) -Bonds: Update required - List5 length change #EDIT List 5 now contains 10 atom(s) #REGROUP List now contains 10 atoms #DISTANCES +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -815,7 +816,7 @@ Refining 41 parameters in 1 block : 959 elements in the LS matrix. Keen in P21/c Date Time - Print list type 12 serial number 2 Address 89814 Length 52 Created on + Print list type 12 serial number 2 Address 89609 Length 52 Created on 0 BLOCK SCALE X'S, U[ISO] @@ -905,8 +906,8 @@ LS-scale= 4.136 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.82E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.82E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 [13] LARGE 1 1 1.4 0.0E+00 0.3 E+00 3.7 SCALE for 41 parameters @@ -944,15 +945,15 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [38] Mean 1.41 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.000 0.007 +[31] -0.001 0.001 0.008 [71] R.M.S. 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.036 0.021 +[31] 0.019 0.036 0.022 [70] Maximum 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.089 0.046 +[31] 0.041 0.089 0.047 [03] Reversals @@ -997,52 +998,52 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.015 +[31] 0.016 0.014 0.015 [37] C 9. 1.00 1.00 0.01 0.09 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.025 0.023 0.022 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1124,8 +1125,8 @@ LS-scale= 4.303 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.25E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.25E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1169,12 +1170,12 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.004 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.015 +[31] 0.010 0.015 0.015 [03] Reversals @@ -1219,52 +1220,52 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.02 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.019 +[31] 0.021 0.020 0.019 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1346,8 +1347,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1388,15 +1389,15 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.001 0.003 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.006 0.002 +[31] 0.001 0.007 0.002 [03] Reversals @@ -1441,52 +1442,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1568,8 +1569,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1613,12 +1614,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -1663,52 +1664,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1790,8 +1791,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1828,15 +1829,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -1881,52 +1882,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2009,8 +2010,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -2047,15 +2048,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2100,52 +2101,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -2242,8 +2243,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.26E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.26E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 42 42 0.010 0.0E+00 0.60 E-02 1.7 C 5 U[22] [14] S/ESD 52 52 -0.010 0.0E+00 0.58 E-02 -1.7 C 6 U[33] [14] S/ESD 59 59 0.022 0.0E+00 0.66 E-02 3.3 C 7 U[11] @@ -2295,12 +2296,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.03 0.01 0.01 0.01 0.01 -[31] 0.012 0.005 0.003 +[31] 0.012 0.006 0.004 [03] Reversals @@ -2345,52 +2346,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.03 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2472,8 +2473,8 @@ LS-scale= 4.287 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.36E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 78 78 0.019 0.5E+00 0.12 E-01 1.5 C 9 U[22] for 91 parameters @@ -2518,12 +2519,12 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.007 [03] Reversals @@ -2568,52 +2569,52 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.012 +[31] 0.015 0.012 0.012 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.013 0.014 0.011 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.016 +[31] 0.014 0.020 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2695,8 +2696,8 @@ LS-scale= 4.308 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2740,12 +2741,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.002 0.004 0.003 [03] Reversals @@ -2790,52 +2791,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.022 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2917,8 +2918,8 @@ LS-scale= 4.311 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2962,12 +2963,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [03] Reversals @@ -3012,52 +3013,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3139,8 +3140,8 @@ LS-scale= 4.312 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.38E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.38E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -3180,12 +3181,12 @@ All cycle Rw 0.0 44. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -3230,52 +3231,52 @@ All cycle Rw 0.0 44. 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -3298,36 +3299,36 @@ All cycle Rw 0.0 44. 0.10E+03 Reflections with greatest unexpected extra intensity: h k l (Fo2-Fc2)/s Fo^2 Fc^2 Sigma -[94] 1 5 2 56.18 2883.1 8. 51.2 -[94] 2 3 4 54.41 7139.2 294. 125.8 -[94] 0 1 3 53.85 1068.6 3. 19.8 -[94] 1 4 0 51.95 14475.9 1210. 255.3 -[94] 2 2 1 51.48 1019.6 161. 16.7 -[94] -1 3 2 49.97 27836.6 21. 556.6 -[94] 2 1 5 49.85 3549.5 334. 64.5 -[94] 1 1 7 49.63 1803.8 10. 36.1 -[94] -1 3 1 48.26 16032.5 49. 331.2 -[94] 1 2 4 48.04 7929.7 315. 158.5 -[94] 4 2 2 47.95 3638.6 18. 75.5 -[94] 1 6 0 46.90 1748.1 476. 27.1 -[94] 1 7 3 46.43 4585.1 7. 98.6 -[94] -1 4 4 45.81 2768.0 249. 55.0 -[94] 1 4 5 45.35 2854.0 6. 62.8 -[94] 1 7 1 45.31 5566.9 195. 118.5 -[94] 1 3 6 45.25 10318.9 1924. 185.5 -[94] -1 5 1 45.05 1132.8 176. 21.2 -[94] 2 1 3 42.93 4017.0 1240. 64.7 -[94] 3 2 1 42.93 18145.0 5482. 295.0 -[94] 3 1 1 42.73 10184.8 3721. 151.3 -[94] -1 7 3 41.11 3420.5 628. 67.9 -[94] 1 3 2 40.51 21453.3 8853. 311.1 -[94] 3 1 7 39.98 2458.5 93. 59.1 -[94] -2 1 4 39.49 6914.0 13. 174.7 -[94] 3 3 6 39.35 9058.6 218. 224.7 -[94] -1 1 6 39.09 16077.7 3226. 328.7 -[94] -1 4 3 39.09 27203.2 6960. 517.8 -[94] 5 1 0 39.07 4400.8 544. 98.7 -[94] -2 1 2 38.92 5904.6 1166. 121.7 +[94] 1 5 2 56.18 2883.1 9 51.2 +[94] 2 3 4 54.41 7139.2 294 125.8 +[94] 0 1 3 53.85 1068.6 3 19.8 +[94] 1 4 0 51.95 14475.9 1210 255.3 +[94] 2 2 1 51.48 1019.6 161 16.7 +[94] -1 3 2 49.97 27836.6 21 556.6 +[94] 2 1 5 49.85 3549.5 334 64.5 +[94] 1 1 7 49.63 1803.8 11 36.1 +[94] -1 3 1 48.26 16032.5 49 331.2 +[94] 1 2 4 48.04 7929.7 315 158.5 +[94] 4 2 2 47.95 3638.6 19 75.5 +[94] 1 6 0 46.90 1748.1 477 27.1 +[94] 1 7 3 46.43 4585.1 8 98.6 +[94] -1 4 4 45.81 2768.0 250 55.0 +[94] 1 4 5 45.35 2854.0 6 62.8 +[94] 1 7 1 45.31 5566.9 195 118.5 +[94] 1 3 6 45.25 10318.9 1924 185.5 +[94] -1 5 1 45.05 1132.8 177 21.2 +[94] 2 1 3 42.93 4017.0 1241 64.7 +[94] 3 2 1 42.93 18145.0 5483 295.0 +[94] 3 1 1 42.73 10184.8 3721 151.3 +[94] -1 7 3 41.11 3420.5 628 67.9 +[94] 1 3 2 40.51 21453.3 8854 311.1 +[94] 3 1 7 39.98 2458.5 94 59.1 +[94] -2 1 4 39.49 6914.0 14 174.7 +[94] 3 3 6 39.35 9058.6 218 224.7 +[94] -1 1 6 39.09 16077.7 3227 328.7 +[94] -1 4 3 39.09 27203.2 6961 517.8 +[94] 5 1 0 39.07 4400.8 544 98.7 +[94] -2 1 2 38.92 5904.6 1166 121.7 Each set of indices above is transformed by the printed rotation matrix. How far the transformed indices are @@ -3617,7 +3618,7 @@ LS-scale= 4.747 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 12 serial number 4 Address 170822 Length 84 Created on + Print list type 12 serial number 4 Address 170617 Length 84 Created on 0 FULL X'S 1 SUMFIX ELEMENT SCALES @@ -3714,8 +3715,8 @@ LS-scale= 4.747 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 2 @@ -3757,12 +3758,12 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.018 +[31] 0.020 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.028 0.038 +[31] 0.042 0.028 0.038 [03] Reversals @@ -3818,52 +3819,52 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.012 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3945,8 +3946,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 1 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 2 @@ -3992,12 +3993,12 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -4053,52 +4054,52 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4180,8 +4181,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4225,12 +4226,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -4286,52 +4287,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4413,8 +4414,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4458,12 +4459,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -4519,52 +4520,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4646,8 +4647,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4688,15 +4689,15 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -4752,52 +4753,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -4808,7 +4809,7 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 5 Address 177280 Length 112 Created on + Print list type 12 serial number 5 Address 177075 Length 112 Created on 0 BLOCK SCALE X'S CL(10,U[ISO]) 1 SUMFIX ELEMENT SCALES @@ -4904,8 +4905,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 1. @@ -4945,12 +4946,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [03] Reversals @@ -5006,52 +5007,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5133,8 +5134,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5175,15 +5176,15 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -5239,52 +5240,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5366,8 +5367,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5404,15 +5405,15 @@ All cycle Rw 0.0 18. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5468,52 +5469,52 @@ All cycle Rw 0.0 18. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -5524,7 +5525,7 @@ All cycle Rw 0.0 18. 0.10E+03 Keen in P21/c Date Time - Print list type 12 serial number 6 Address 179993 Length 148 Created on + Print list type 12 serial number 6 Address 179788 Length 148 Created on 0 BLOCK SCALE X'S FIRST(U[ISO]) UNTIL C(9) CL(10,U'S) 1 SUMFIX ELEMENT SCALES @@ -5621,8 +5622,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.7 C 9 U[ISO] for 47 parameters @@ -5663,12 +5664,12 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.005 +[31] 0.009 0.006 0.005 [03] Reversals @@ -5724,52 +5725,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5851,8 +5852,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -5893,15 +5894,15 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -5957,52 +5958,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6084,8 +6085,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6126,15 +6127,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6190,52 +6191,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6317,8 +6318,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6359,15 +6360,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6423,52 +6424,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6550,8 +6551,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6592,15 +6593,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6656,52 +6657,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -6712,7 +6713,7 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 7 Address 179993 Length 148 Created on + Print list type 12 serial number 7 Address 179788 Length 148 Created on 0 FULL X'S U'S 1 SUMFIX ELEMENT SCALES @@ -6809,8 +6810,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.026 0.0E+00 0.28 E-02 9.3 C 7 U[11] [14] S/ESD 60 60 -0.015 0.0E+00 0.28 E-02 -5.3 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -6861,12 +6862,12 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.005 0.003 +[31] 0.004 0.006 0.003 [03] Reversals @@ -6922,52 +6923,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.03 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7049,8 +7050,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.89E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 5.0 C 7 U[11] [14] S/ESD 78 78 0.015 0.5E+00 0.32 E-02 4.8 C 9 U[22] @@ -7096,12 +7097,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -7157,52 +7158,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7284,8 +7285,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.69E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.69E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7329,12 +7330,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -7390,52 +7391,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7517,8 +7518,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.93E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.93E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7562,12 +7563,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -7623,52 +7624,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7750,8 +7751,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.99E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.99E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7792,15 +7793,15 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7856,52 +7857,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -7963,7 +7964,6 @@ H33 C(9) C(1) N(2) [82] H 92.0 1.00000 1. 0.02 0.01 0.87 0.06 [82] H 93.0 1.00000 1. -0.06 0.12 0.78 0.06 List now contains 22 atoms -Bonds: Update required - List5 length change # NOW DO A FOURIER TO FIND THE H #SFLS #SPEC NO NO @@ -8121,7 +8121,6 @@ LS-scale= 4.749 Wilson Scale= 4.723 with an R.M.S. deviation of 0.05 #PEAKS List now contains 24 atoms -Bonds: Update required - List5 length change #COLL #EDIT The following atom(s) will be selected @@ -8132,7 +8131,6 @@ Bonds: Update required - List5 length change The following atom(s) will be changed H 1 List 5 now contains 23 atom(s) -Bonds: Update required - List5 length change # NOW REFINE SOME MORE. #LIST 12 #SFLS @@ -8225,8 +8223,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.89E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.024 0.0E+00 0.964E-02 -2.47 SCALE for 92 parameters @@ -8267,12 +8265,12 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.006 +[31] 0.010 0.011 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.025 0.016 +[31] 0.018 0.025 0.016 [03] Reversals @@ -8328,52 +8326,52 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8455,8 +8453,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.34 SCALE for 92 parameters @@ -8501,12 +8499,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -8562,52 +8560,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8689,8 +8687,8 @@ LS-scale= 4.743 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.29 SCALE for 92 parameters @@ -8732,15 +8730,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8796,52 +8794,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8923,8 +8921,8 @@ LS-scale= 4.739 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.031 0.1E+01 0.960E-02 -3.23 SCALE for 92 parameters @@ -8966,15 +8964,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9030,52 +9028,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9157,8 +9155,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.030 0.1E+01 0.960E-02 -3.17 SCALE for 92 parameters @@ -9200,15 +9198,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9264,52 +9262,52 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -9572,7 +9570,7 @@ The slope and correlation coefficient should be small List type 11 with serial number 136 is the current version. You may still save this list with DELETE n ACTION=NO #PURGE - List type 11 serial number 136 from 183877 to 188315 will not be copied ( deleted ) + List type 11 serial number 136 from 183672 to 188110 will not be copied ( deleted ) The Data file is being rebuilt - DO NOT abort the program The new disc index has been re-written @@ -9657,8 +9655,8 @@ LS-scale= 4.733 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.20E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.20E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.5E+00 0.965E-02 -1.68 SCALE for 92 parameters @@ -9696,15 +9694,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.002 [03] Reversals @@ -9760,52 +9758,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9887,8 +9885,8 @@ LS-scale= 4.731 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.97E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.97E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.70 SCALE for 92 parameters @@ -9930,15 +9928,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9994,52 +9992,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10121,8 +10119,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.67 SCALE for 92 parameters @@ -10164,15 +10162,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10228,52 +10226,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10355,8 +10353,8 @@ LS-scale= 4.728 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.64 SCALE for 92 parameters @@ -10398,15 +10396,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10462,52 +10460,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10589,8 +10587,8 @@ LS-scale= 4.726 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.62 SCALE for 92 parameters @@ -10632,15 +10630,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10696,52 +10694,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10978,8 +10976,8 @@ LS-scale= 4.724 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.59 SCALE for 92 parameters @@ -11017,15 +11015,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11081,52 +11079,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11209,8 +11207,8 @@ LS-scale= 4.723 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.56 SCALE for 92 parameters @@ -11248,15 +11246,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11312,52 +11310,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11440,8 +11438,8 @@ LS-scale= 4.721 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.53 SCALE for 92 parameters @@ -11479,15 +11477,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11543,52 +11541,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11671,8 +11669,8 @@ LS-scale= 4.720 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.51 SCALE for 92 parameters @@ -11710,15 +11708,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11774,52 +11772,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11902,8 +11900,8 @@ LS-scale= 4.718 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.48 SCALE for 92 parameters @@ -11941,15 +11939,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12005,52 +12003,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12133,8 +12131,8 @@ LS-scale= 4.717 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.45 SCALE for 92 parameters @@ -12172,15 +12170,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12236,52 +12234,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12458,6 +12456,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Mean electron density at original atomic sites is -0.02 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -12643,7 +12642,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 12 serial number 8 Address 72371 Length 148 Created on + Print list type 12 serial number 8 Address 72570 Length 148 Created on 0 BLOCK SCALE X'S, U'S 1 SUMFIX ELEMENT SCALES @@ -12657,7 +12656,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 16 serial number 4 Address 70638 Length 576 Created on + Print list type 16 serial number 4 Address 70837 Length 576 Created on 0 LIMIT 0.01000000 ELEMENT SCALES 1 LIMIT 0.01000000 SCALE @@ -12682,7 +12681,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 17 serial number 8 Address 3709 Length 36 Created on + Print list type 17 serial number 8 Address 3908 Length 36 Created on 0 NO @@ -12695,7 +12694,6 @@ LS-scale= 4.715 Wilson Scale= 4.723 # HERE IS THE ATOM LIST WITH COORDS BEFORE TWIN ELEMENTS HAVE # BEEN REFINED. #LIST 5 -Bonds: Update required - List5 length change # MAKE SURE SCALE IS RIGHT. #SFLS #WEIGHT @@ -12775,7 +12773,7 @@ LS-scale= 4.746 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 12 serial number 9 Address 72371 Length 148 Created on + Print list type 12 serial number 9 Address 72570 Length 148 Created on 0 FULL X'S 1 SUMFIX ELEMENT SCALES @@ -12872,8 +12870,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.11E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.13 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -12916,12 +12914,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -12977,52 +12975,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13104,8 +13102,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.85E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.62 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 2 @@ -13152,12 +13150,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.007 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.005 +[31] 0.019 0.004 0.005 [03] Reversals @@ -13213,52 +13211,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13340,8 +13338,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.67 SCALE for 32 parameters @@ -13386,12 +13384,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.002 0.002 [03] Reversals @@ -13447,52 +13445,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13574,8 +13572,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.83E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.44 SCALE for 32 parameters @@ -13620,12 +13618,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -13681,52 +13679,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13808,8 +13806,8 @@ LS-scale= 4.843 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -13850,15 +13848,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -13914,52 +13912,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -13970,7 +13968,7 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 10 Address 72371 Length 148 Created on + Print list type 12 serial number 10 Address 72570 Length 148 Created on 0 BLOCK SCALE X'S CL(10,U[ISO]) 1 SUMFIX ELEMENT SCALES @@ -14066,8 +14064,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.08 SCALE for 33 parameters @@ -14105,15 +14103,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14169,52 +14167,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14296,8 +14294,8 @@ LS-scale= 4.831 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.51 SCALE for 33 parameters @@ -14339,15 +14337,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -14403,52 +14401,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14530,8 +14528,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14572,15 +14570,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14636,52 +14634,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14763,8 +14761,8 @@ LS-scale= 4.810 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14805,15 +14803,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14869,52 +14867,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14996,8 +14994,8 @@ LS-scale= 4.804 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -15038,15 +15036,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15102,52 +15100,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -15158,7 +15156,7 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 11 Address 72371 Length 148 Created on + Print list type 12 serial number 11 Address 72570 Length 148 Created on 0 BLOCK SCALE X'S FIRST(U[ISO]) UNTIL C(9) CL(10,U'S) 1 SUMFIX ELEMENT SCALES @@ -15255,8 +15253,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.4 C 9 U[ISO] @@ -15298,12 +15296,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [03] Reversals @@ -15359,52 +15357,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15486,8 +15484,8 @@ LS-scale= 4.781 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -15532,12 +15530,12 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -15593,52 +15591,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15720,8 +15718,8 @@ LS-scale= 4.764 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -15763,15 +15761,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -15827,52 +15825,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15954,8 +15952,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -15996,15 +15994,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -16060,52 +16058,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16187,8 +16185,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -16229,15 +16227,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16293,52 +16291,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -16349,7 +16347,7 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 12 Address 72371 Length 148 Created on + Print list type 12 serial number 12 Address 72570 Length 148 Created on 0 FULL X'S U'S 1 SUMFIX ELEMENT SCALES @@ -16446,8 +16444,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.02E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.02E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.7 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -16497,12 +16495,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.003 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -16558,52 +16556,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16685,8 +16683,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.65E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.65E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.5 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -16732,12 +16730,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.002 [03] Reversals @@ -16793,52 +16791,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16920,8 +16918,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -16965,12 +16963,12 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -17026,52 +17024,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17153,8 +17151,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17198,12 +17196,12 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -17259,52 +17257,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17386,8 +17384,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.61E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.61E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17424,15 +17422,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17488,56 +17486,57 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H #PERHYDRO 5 5 +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H12 C(3) N(2) N(4) H12 C(5) C(6) N(4) @@ -17595,7 +17594,6 @@ H33 C(9) C(1) N(2) [82] H 92.0 1.00000 1. 0.02 0.01 0.87 0.06 [82] H 93.0 1.00000 1. -0.06 0.12 0.79 0.06 List now contains 22 atoms -Bonds: Update required - List5 length change # NOW DO A FOURIER TO FIND THE H #SFLS #SPEC NO NO @@ -17753,7 +17751,6 @@ LS-scale= 4.730 Wilson Scale= 4.723 with an R.M.S. deviation of 0.04 #PEAKS List now contains 24 atoms -Bonds: Update required - List5 length change #COLL #EDIT The following atom(s) will be selected @@ -17764,7 +17761,6 @@ Bonds: Update required - List5 length change The following atom(s) will be changed H 1 List 5 now contains 23 atom(s) -Bonds: Update required - List5 length change # NOW REFINE SOME MORE. #LIST 12 #SFLS @@ -17857,8 +17853,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.50E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.50E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.18 SCALE for 92 parameters @@ -17899,12 +17895,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -17960,52 +17956,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18087,8 +18083,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.70E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.70E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.04 SCALE for 92 parameters @@ -18130,15 +18126,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -18194,52 +18190,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18321,8 +18317,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.78E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.78E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18363,15 +18359,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -18427,52 +18423,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18554,8 +18550,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18596,15 +18592,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18660,52 +18656,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18787,8 +18783,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18825,15 +18821,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18889,52 +18885,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -19282,8 +19278,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19323,12 +19319,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -19384,52 +19380,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19511,8 +19507,8 @@ LS-scale= 4.637 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19553,15 +19549,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19617,52 +19613,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19744,8 +19740,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19782,15 +19778,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19846,52 +19842,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20128,8 +20124,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20166,15 +20162,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20230,52 +20226,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20358,8 +20354,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20396,15 +20392,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20460,52 +20456,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20588,8 +20584,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20626,15 +20622,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20690,52 +20686,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20818,8 +20814,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20856,15 +20852,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20920,52 +20916,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21048,8 +21044,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21086,15 +21082,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21150,52 +21146,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21278,8 +21274,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21316,15 +21312,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21380,52 +21376,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21603,6 +21599,7 @@ LS-scale= 4.642 Wilson Scale= 4.723 Mean electron density at original atomic sites is 0.00 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -21788,7 +21785,6 @@ LS-scale= 4.642 Wilson Scale= 4.723 # HERE IS THE ATOM LIST WITH COORDS BEFORE TWIN ELEMENTS HAVE # BEEN REFINED. #LIST 5 -Bonds: Update required - List5 length change # MAKE SURE SCALE IS RIGHT. #SFLS #WEIGHT @@ -21965,8 +21961,8 @@ LS-scale= 4.646 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.30E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.30E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.0E+00 0.989E-02 1.01 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 2 @@ -22009,12 +22005,12 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.017 +[31] 0.021 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.028 0.036 +[31] 0.043 0.028 0.036 [03] Reversals @@ -22070,52 +22066,52 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.011 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22197,8 +22193,8 @@ LS-scale= 4.647 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.49 SCALE S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 1 S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 2 @@ -22245,12 +22241,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -22306,52 +22302,52 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22433,8 +22429,8 @@ LS-scale= 4.649 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.53 SCALE for 32 parameters @@ -22479,12 +22475,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -22540,52 +22536,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22667,8 +22663,8 @@ LS-scale= 4.650 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.52 SCALE for 32 parameters @@ -22713,12 +22709,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -22774,52 +22770,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22901,8 +22897,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.50 SCALE for 32 parameters @@ -22944,15 +22940,15 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -23008,52 +23004,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -23160,8 +23156,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 2. @@ -23201,12 +23197,12 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -23262,52 +23258,52 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23389,8 +23385,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.20E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.20E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23431,15 +23427,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -23495,52 +23491,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23622,8 +23618,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23664,15 +23660,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23728,52 +23724,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23855,8 +23851,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23897,15 +23893,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23961,52 +23957,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24088,8 +24084,8 @@ LS-scale= 4.656 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -24130,15 +24126,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -24194,52 +24190,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -24347,8 +24343,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.66E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.020 0.0E+00 0.21 E-02 -9.5 C 9 U[ISO] for 47 parameters @@ -24389,12 +24385,12 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.002 [70] Maximum 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.011 0.007 0.006 [03] Reversals @@ -24450,52 +24446,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 -0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24577,8 +24573,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24619,15 +24615,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.004 0.004 0.002 [03] Reversals @@ -24683,52 +24679,52 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24810,8 +24806,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.08E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.08E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24852,15 +24848,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -24916,52 +24912,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25043,8 +25039,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25085,15 +25081,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25149,52 +25145,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25276,8 +25272,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25318,15 +25314,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25382,52 +25378,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -25535,8 +25531,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.28 E-02 9.1 C 7 U[11] [14] S/ESD 60 60 -0.014 0.0E+00 0.28 E-02 -5.2 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -25587,12 +25583,12 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.006 0.003 +[31] 0.004 0.006 0.004 [03] Reversals @@ -25648,52 +25644,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25775,8 +25771,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.91E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.91E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 4.8 C 7 U[11] [14] S/ESD 78 78 0.015 0.4E+00 0.31 E-02 4.7 C 9 U[22] @@ -25822,12 +25818,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -25883,52 +25879,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26010,8 +26006,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.64E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.64E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26055,12 +26051,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -26116,52 +26112,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26243,8 +26239,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.87E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.87E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26288,12 +26284,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -26349,52 +26345,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26476,8 +26472,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.92E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.92E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26518,15 +26514,15 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -26582,56 +26578,57 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H #PERHYDRO 5 5 +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H12 C(3) N(2) N(4) H12 C(5) C(6) N(4) @@ -26689,7 +26686,6 @@ H33 C(9) C(1) N(2) [82] H 92.0 1.00000 1. 0.02 0.01 0.87 0.06 [82] H 93.0 1.00000 1. -0.06 0.12 0.78 0.06 List now contains 22 atoms -Bonds: Update required - List5 length change # NOW DO A FOURIER TO FIND THE H #SFLS #SPEC NO NO @@ -26847,7 +26843,6 @@ LS-scale= 4.660 Wilson Scale= 4.723 with an R.M.S. deviation of 0.05 #PEAKS List now contains 24 atoms -Bonds: Update required - List5 length change #COLL #EDIT The following atom(s) will be selected @@ -26858,7 +26853,6 @@ Bonds: Update required - List5 length change The following atom(s) will be changed H 1 List 5 now contains 23 atom(s) -Bonds: Update required - List5 length change # NOW REFINE SOME MORE. #LIST 12 #SFLS @@ -26951,8 +26945,8 @@ LS-scale= 4.660 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.94E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.94E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 2. @@ -26992,12 +26986,12 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.015 +[31] 0.017 0.024 0.015 [03] Reversals @@ -27053,52 +27047,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27180,8 +27174,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.15 SCALE for 92 parameters @@ -27226,12 +27220,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -27287,52 +27281,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27414,8 +27408,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.11 SCALE for 92 parameters @@ -27457,15 +27451,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27521,52 +27515,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27648,8 +27642,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.957E-02 -1.07 SCALE for 92 parameters @@ -27691,15 +27685,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27755,52 +27749,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27882,8 +27876,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.956E-02 -1.04 SCALE for 92 parameters @@ -27925,15 +27919,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27989,52 +27983,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -28386,8 +28380,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.21E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.21E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28427,12 +28421,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -28488,52 +28482,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28615,8 +28609,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.03E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.03E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28657,15 +28651,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28721,52 +28715,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28848,8 +28842,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28890,15 +28884,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28954,52 +28948,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29081,8 +29075,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29123,15 +29117,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29187,52 +29181,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29314,8 +29308,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29356,15 +29350,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29420,52 +29414,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29702,8 +29696,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29740,15 +29734,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29804,52 +29798,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29932,8 +29926,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29970,15 +29964,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30034,52 +30028,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30162,8 +30156,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30200,15 +30194,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30264,52 +30258,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30392,8 +30386,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30430,15 +30424,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30494,52 +30488,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30622,8 +30616,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30660,15 +30654,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30724,52 +30718,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30852,8 +30846,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30890,15 +30884,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30954,52 +30948,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -31178,6 +31172,7 @@ LS-scale= 4.651 Wilson Scale= 4.723 Mean electron density at original atomic sites is -0.01 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -31363,7 +31358,6 @@ LS-scale= 4.651 Wilson Scale= 4.723 # HERE IS THE ATOM LIST WITH COORDS BEFORE TWIN ELEMENTS HAVE # BEEN REFINED. #LIST 5 -Bonds: Update required - List5 length change # MAKE SURE SCALE IS RIGHT. #SFLS #WEIGHT @@ -31540,8 +31534,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.09E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.11 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -31584,12 +31578,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -31645,52 +31639,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31766,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.89E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.60 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 2 @@ -31820,12 +31814,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.008 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.004 +[31] 0.018 0.004 0.005 [03] Reversals @@ -31881,52 +31875,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32008,8 +32002,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.86E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.86E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.65 SCALE for 32 parameters @@ -32054,12 +32048,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -32115,52 +32109,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32242,8 +32236,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.43 SCALE for 32 parameters @@ -32288,12 +32282,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -32349,52 +32343,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32476,8 +32470,8 @@ LS-scale= 4.842 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -32518,15 +32512,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -32582,52 +32576,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -32734,8 +32728,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.07 SCALE for 33 parameters @@ -32773,15 +32767,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32837,52 +32831,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32964,8 +32958,8 @@ LS-scale= 4.830 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.48E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.48E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.50 SCALE for 33 parameters @@ -33007,15 +33001,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -33071,52 +33065,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33198,8 +33192,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33240,15 +33234,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33304,52 +33298,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33431,8 +33425,8 @@ LS-scale= 4.809 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33473,15 +33467,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33537,52 +33531,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33664,8 +33658,8 @@ LS-scale= 4.803 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33706,15 +33700,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33770,52 +33764,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -33923,8 +33917,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.5 C 9 U[ISO] @@ -33966,12 +33960,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.004 0.005 +[31] 0.010 0.005 0.005 [03] Reversals @@ -34027,52 +34021,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34154,8 +34148,8 @@ LS-scale= 4.780 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -34197,15 +34191,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.001 +[31] 0.004 0.003 0.001 [03] Reversals @@ -34261,52 +34255,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34388,8 +34382,8 @@ LS-scale= 4.763 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -34431,15 +34425,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -34495,52 +34489,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34622,8 +34616,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34664,15 +34658,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -34728,52 +34722,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34855,8 +34849,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34897,15 +34891,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -34961,52 +34955,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -35114,8 +35108,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.03E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.03E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.6 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -35165,12 +35159,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.004 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -35226,52 +35220,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35353,8 +35347,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.66E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.66E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.4 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -35400,12 +35394,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.003 [03] Reversals @@ -35461,52 +35455,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35588,8 +35582,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35630,15 +35624,15 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.002 0.002 0.001 [03] Reversals @@ -35694,52 +35688,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35821,8 +35815,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35863,15 +35857,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -35927,52 +35921,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36054,8 +36048,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.62E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.62E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -36092,15 +36086,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -36156,56 +36150,57 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H #PERHYDRO 5 5 +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H12 C(3) N(2) N(4) H12 C(5) C(6) N(4) @@ -36263,7 +36258,6 @@ H33 C(9) C(1) N(2) [82] H 92.0 1.00000 1. 0.02 0.01 0.87 0.06 [82] H 93.0 1.00000 1. -0.06 0.12 0.79 0.06 List now contains 22 atoms -Bonds: Update required - List5 length change # NOW DO A FOURIER TO FIND THE H #SFLS #SPEC NO NO @@ -36421,7 +36415,6 @@ LS-scale= 4.730 Wilson Scale= 4.723 with an R.M.S. deviation of 0.04 #PEAKS List now contains 24 atoms -Bonds: Update required - List5 length change #COLL #EDIT The following atom(s) will be selected @@ -36432,7 +36425,6 @@ Bonds: Update required - List5 length change The following atom(s) will be changed H 1 List 5 now contains 23 atom(s) -Bonds: Update required - List5 length change # NOW REFINE SOME MORE. #LIST 12 #SFLS @@ -36525,8 +36517,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.51E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 9E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.16 SCALE for 92 parameters @@ -36567,12 +36559,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -36628,52 +36620,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36755,8 +36747,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.71E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.71E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.03 SCALE for 92 parameters @@ -36798,15 +36790,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -36862,52 +36854,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36989,8 +36981,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37031,15 +37023,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37095,52 +37087,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37222,8 +37214,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37264,15 +37256,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37328,52 +37320,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37455,8 +37447,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37493,15 +37485,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37557,52 +37549,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -37950,8 +37942,8 @@ LS-scale= 4.629 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -37991,12 +37983,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -38052,52 +38044,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38179,8 +38171,8 @@ LS-scale= 4.636 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38221,15 +38213,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38285,52 +38277,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38412,8 +38404,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38450,15 +38442,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38514,52 +38506,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -38796,8 +38788,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38834,15 +38826,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38898,52 +38890,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39026,8 +39018,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39064,15 +39056,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39128,52 +39120,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39256,8 +39248,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39294,15 +39286,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39358,52 +39350,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39486,8 +39478,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39524,15 +39516,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39588,52 +39580,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39716,8 +39708,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39754,15 +39746,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39818,52 +39810,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39946,8 +39938,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39984,15 +39976,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -40048,52 +40040,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -40272,6 +40264,7 @@ LS-scale= 4.642 Wilson Scale= 4.723 Mean electron density at original atomic sites is 0.00 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time diff --git a/test_suite/INW64GH.org/test3.out b/test_suite/INW64GH.org/test3.out index 5ec56ef64..a79b0711e 100644 --- a/test_suite/INW64GH.org/test3.out +++ b/test_suite/INW64GH.org/test3.out @@ -3555,7 +3555,6 @@ Upating List 13 for twinned data #LIST 1 #LIST 2 #LIST 5 -Bonds: Update required - There is no list 41 #PRINT 5 @@ -3700,6 +3699,9 @@ Bonds: Update required - There is no list 41 #TITLE TEST THE LIST MODIFICATION ROUTINES +#EDIT 5 5 +#BONDCALC +Bonds: Update required - There is no list 41 #EDIT 5 5 The following atom(s) will be arithmetically modified Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -3849,7 +3851,6 @@ SCAL 099.21****** 0.767 0.501 0 0.078 0.061 0.065 0.03 0.01-0.02 0.000 C 127 1.00******-3.775-0.791 0 0.04715.678 0.031-0.02 0.01 0.02 0.000 0 C 128 1.00******-3.425-0.741 0 0.04515.678 0.029-0.02 0.01 0.02 0.000 0 List 5 now contains 37 atom(s) -Bonds: Update required - List5 length change #PRINT 5 @@ -4037,7 +4038,7 @@ Bonds: Update required - List5 length change TEST THE LIST MODIFICATION ROUTINES Date Time - Print list type 10 serial number 1 Address 51303 Length 587 Created on + Print list type 10 serial number 1 Address 51044 Length 587 Created on @@ -4197,7 +4198,6 @@ Bonds: Update required - List5 length change #LIST 1 #LIST 2 #LIST 5 -Bonds: Update required - List5 length change #HYDROGEN @@ -4275,14 +4275,13 @@ Bonds: Update required - List5 length change [82] H 21.0 1.00000 1. 0.60 0.67 0.06 0.06 List now contains 39 atoms -Bonds: Update required - List5 length change #PRINT 5 BENZAM - TEST HYDROGEN PLACING ROUTINES Date Time - Print list type 5 serial number 4 Address 53020 Length 785 Created on + Print list type 5 serial number 4 Address 52377 Length 785 Created on @@ -4440,14 +4439,13 @@ Bonds: Update required - List5 length change # #LIST 2 #LIST 5 -Bonds: Update required - List5 length change #PRINT 5 BENZAM - TEST HYDROGEN PLACING ROUTINES Date Time - Print list type 5 serial number 5 Address 55031 Length 677 Created on + Print list type 5 serial number 5 Address 53535 Length 677 Created on @@ -4754,9 +4752,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.86 -2.28 1.2 0.03 -0.00 0.01 0.01 0.05 -0.04 -[35] -2.28 12.59 0.4 -0.00 0.05 -0.00 -0.03 -0.05 0.07 -[35] 1.25 0.48 1.5 0.01 -0.00 0.06 -0.01 0.02 0.03 +[35] -0.87 -2.29 1.25 0.04 -0.01 0.01 0.02 0.05 -0.05 +[35] -2.29 12.60 0.48 -0.01 0.06 -0.00 -0.03 -0.06 0.07 +[35] 1.25 0.48 1.57 0.01 -0.00 0.06 -0.01 0.02 0.04 @@ -4781,9 +4779,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.03 0.02 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 -0.03 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 -0.07 -0.06 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.03 0.03 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.01 0.02 -0.04 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 -0.07 -0.06 -0.06 @@ -4802,9 +4800,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.00 0.00 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 0.00 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 0.00 0.00 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.00 0.00 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.00 0.02 0.00 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 0.00 0.00 -0.06 @@ -4915,9 +4913,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 16.80 -4.91 -7.3 0.03 -0.00 -0.00 -0.12 -0.07 0.28 -[35] -4.91 69.40 21.5 -0.00 0.03 0.00 0.44 0.07 -0.26 -[35] -7.37 21.55 66.2 -0.00 0.00 0.05 -0.03 0.08 0.05 +[35] 16.80 -4.92 -7.38 0.03 -0.00 -0.01 -0.12 -0.08 0.29 +[35] -4.92 69.40 21.55 -0.00 0.04 0.00 0.44 0.07 -0.27 +[35] -7.38 21.55 66.20 -0.01 0.00 0.05 -0.04 0.09 0.05 @@ -4942,9 +4940,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.25 -0.15 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 -0.29 0.15 -0.19 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 -0.28 0.24 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.01 -0.07 0.26 -0.16 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 -0.29 0.15 -0.19 +[35] 0.00 0.00 90.43 0.01 -0.01 0.05 -0.28 0.24 -0.08 @@ -4963,9 +4961,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.00 0.00 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 0.00 0.15 0.00 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 0.00 0.00 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.00 -0.07 0.00 0.00 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 0.00 0.15 0.00 +[35] 0.00 0.00 90.43 0.00 -0.01 0.05 0.00 0.00 -0.08 @@ -5013,7 +5011,7 @@ for Uprime see Acta Cryst (2000). B56, 747-749 BENZAM - TEST HYDROGEN PLACING ROUTINES Date Time - Print list type 5 serial number 6 Address 56602 Length 677 Created on + Print list type 5 serial number 6 Address 54446 Length 677 Created on @@ -5329,8 +5327,8 @@ AZIMUTH = -73.48 AZIMUTH /100 = -0.7348 Transformation to crystal fractions w.r.t. centroid from best plane co-ordinates in angstrom and fractions -[31] -0.015 -0.115 -0.067 -[31] -0.111 -0.037 -0.026 +[31] -0.015 -0.116 -0.067 +[31] -0.111 -0.038 -0.026 [85] 0.00 0.03 -0.04 0.03 0.50 -0.87 @@ -5410,7 +5408,7 @@ AZIMUTH = -3.24 AZIMUTH /100 = -0.0324 Transformation to crystal fractions w.r.t. centroid from best plane co-ordinates in angstrom and fractions -[31] 0.109 -0.073 -0.028 +[31] 0.109 -0.074 -0.028 [85] 0.10 0.02 0.06 0.98 0.23 0.55 [85] -0.01 -0.03 0.04 -0.25 -0.65 0.72 @@ -5473,7 +5471,7 @@ AZIMUTH = -72.46 AZIMUTH /100 = -0.7246 [85] -0.05 0.12 -0.02 -0.46 1.03 -0.18 [85] 0.07 0.09 -0.03 0.69 0.88 -0.24 -[31] -0.004 -0.010 -0.049 +[31] -0.004 -0.010 -0.049 @@ -5546,7 +5544,7 @@ AZIMUTH = 44.42 AZIMUTH /100 = 0.4442 [85] -0.05 0.12 -0.01 -0.46 1.04 -0.09 [85] 0.07 0.09 -0.02 0.69 0.90 -0.17 -[31] -0.004 -0.006 -0.049 +[31] -0.004 -0.006 -0.050 @@ -5667,7 +5665,6 @@ AZIMUTH = 59.34 AZIMUTH /100 = 0.5934 #LIST 4 #LIST 5 #LIST 13 -Bonds: Update required - List5 length change #LIST 6 The updated reflections are now on UNIT 53 @@ -5852,8 +5849,8 @@ LS-scale= 12.394 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.44E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4.44E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4E-05 S/ESD 1 1 -1.155 0.0E+00 0.628E+00 -1.84 SCALE [14a] LARGE 2 2 -0.192 0.0E+00 0.70 E-01 -2.7 SI 1 U[11] Composite @@ -5928,15 +5925,15 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [38] Mean -0.60 0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.07 -0.00 -0.00 -0.02 -[31] 0.053 0.014 0.027 +[31] 0.054 0.014 0.027 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.08 0.02 0.11 0.00 0.01 0.03 -[31] 0.067 0.019 0.046 +[31] 0.068 0.019 0.047 [70] Maximum 1. 0.00 0.00 0.01 0.00 0.01 0.19 0.03 0.26 0.01 0.01 0.06 -[31] 0.126 0.025 0.085 +[31] 0.127 0.026 0.086 [03] Reversals @@ -5992,37 +5989,37 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [37] SI 1. 0.16 0.00 0.00 0.00 0.00 -0.17 [37] 0.00 0.00 0.00 0.00 -0.19 -0.19 -0.26 0.00 0.00 -0.09 [37] 0.00 0.00 0.00 0.00 0.07 0.07 0.13 0.00 0.00 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 0.33 0.00 0.33 0.66 0.51 -0.04 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.11 0.00 0.00 -0.02 [37] 0.00 0.00 0.00 0.02 0.02 0.02 0.04 0.00 0.00 0.01 -[31] 0.000 0.000 0.107 +[31] 0.000 0.000 0.107 [37] NA 1. 0.50 0.00 0.39 0.39 0.00 0.00 [37] 0.00 0.01 0.01 0.00 -0.02 -0.02 -0.06 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.03 -[31] 0.074 0.074 0.000 +[31] 0.075 0.075 0.000 [37] NA 2. 0.50 0.00 0.71 0.71 0.50 -0.03 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.10 0.00 0.00 -0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.071 0.071 0.000 +[31] 0.071 0.071 0.000 [37] F 1. 1.00 0.00 0.09 -0.09 0.80 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.03 0.03 0.01 -[31] 0.069 0.068 0.040 +[31] 0.069 0.068 0.040 [37] F 2. 1.00 0.00 0.44 -0.39 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.01 0.02 -[31] 0.045 0.050 0.039 +[31] 0.046 0.050 0.040 [37] F 3. 1.00 0.00 0.23 -0.25 0.32 0.01 [37] 0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.02 0.02 -[31] 0.055 0.058 0.041 +[31] 0.056 0.059 0.042 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [37] SI 1. -0.23 -0.17 -0.17 -0.19 -0.19 -0.12 @@ -6110,6 +6107,7 @@ LS-scale= 11.239 Wilson Scale= 0.000 #DISTANCES #LIST 31 #DISTANCES +Bonds: Update required - List5 length change SODIUM COMPOUND TAKEN FROM THE LITERATURE - SPACE GROUP IS P321 ! Date Time @@ -6537,7 +6535,6 @@ The slope and correlation coefficient should be small #LIST 4 #LIST 5 #LIST 13 -Bonds: Update required - List5 length change #LIST 6 The updated reflections are now on UNIT 52 @@ -6553,7 +6550,7 @@ Bonds: Update required - List5 length change P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 6 serial number 86 Address 86631 Length 7571 Created on + Print list type 6 serial number 86 Address 83491 Length 7571 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -6688,7 +6685,7 @@ Bonds: Update required - List5 length change P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 6 serial number 90 Address 94824 Length 7571 Created on + Print list type 6 serial number 90 Address 91684 Length 7571 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -6823,7 +6820,7 @@ Bonds: Update required - List5 length change P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 5 serial number 14 Address 102395 Length 137 Created on + Print list type 5 serial number 14 Address 99255 Length 137 Created on @@ -7187,21 +7184,21 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1E-06 S/ESD 1 1 0.029 0.0E+00 0.189E-01 1.52 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.4 E-02 1.4 DU[ISO] Inversion method: Automatic -Block No 2. Single precision relative error: 1.72E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.72E-07 +[80a] Block No 2. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 2 Inversion method: Automatic -Block No 3. Single precision relative error: 1.68E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.68E-07 +[80a] Block No 3. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 3 Inversion method: Automatic -Block No 4. Single precision relative error: 1.47E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.47E-07 +[80a] Block No 4. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 Block 4 [14] S/ESD 11 1 -0.022 0.0E+00 0.36 E-02 -6.3 C 1 X [14] S/ESD 13 3 0.017 0.0E+00 0.40 E-02 4.2 C 1 Z @@ -7245,12 +7242,12 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [89] -0.05 -0.03 0.00 [71] R.M.S. 0. 0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.052 0.067 +[31] 0.123 0.052 0.067 [70] Maximum 0. 0.00 0.02 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.197 0.071 0.103 +[31] 0.197 0.071 0.103 [03] Reversals @@ -7297,17 +7294,17 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [37] S 1. 1.00 1.00 0.16 0.02 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.007 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.015 +[31] 0.019 0.018 0.015 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.03 [73] 0.00 -0.01 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.029 0.024 +[31] 0.031 0.029 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -7422,12 +7419,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.015 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.021 0.019 +[31] 0.030 0.021 0.020 [03] Reversals @@ -7474,17 +7471,17 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] S 1. 1.00 1.00 0.16 0.02 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.009 +[31] 0.012 0.012 0.010 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.018 0.015 +[31] 0.020 0.019 0.016 [84] Mean C-C su = 0.01 #CYCLENDS #PRINT 6 @@ -7493,7 +7490,7 @@ Inter cycle Rw -5.0 5.2 0.10E+03 P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 6 serial number 96 Address 94824 Length 7571 Created on + Print list type 6 serial number 96 Address 91684 Length 7571 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -7633,7 +7630,6 @@ Inter cycle Rw -5.0 5.2 0.10E+03 735 reflections accepted 0 reflections rejected #LIST 5 #LIST 12 -Bonds: Update required - List5 length change #LIST 23 #SFLS #LIST 26 @@ -7731,8 +7727,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.23E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.23E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -7769,15 +7765,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.001 0.003 0.000 +[31] 0.001 0.003 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.000 +[31] 0.002 0.005 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.007 0.001 +[31] 0.003 0.007 0.001 [03] Reversals @@ -7822,22 +7818,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] B 2. 1.00 0.00 -0.18 -0.11 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 5 @@ -7967,8 +7963,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.09E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.09E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -8005,15 +8001,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.004 0.002 0.001 [03] Reversals @@ -8058,22 +8054,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.005 [37] B 2. 1.00 0.00 -0.18 -0.12 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.003 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK @@ -8111,7 +8107,7 @@ ___________ HEXACHLOROBORAZINE - LIST INPUT Date Time - Print list type 11 serial number 20 Address 129815 Length 809 Created on + Print list type 11 serial number 20 Address 126543 Length 809 Created on Inverse matrix @@ -8162,7 +8158,7 @@ ___________ HEXACHLOROBORAZINE - LIST INPUT Date Time - Print list type 11 serial number 20 Address 129815 Length 809 Created on + Print list type 11 serial number 20 Address 126543 Length 809 Created on Print List 11 as correlation matrix @@ -8253,7 +8249,7 @@ ___________ HEXACHLOROBORAZINE - LIST INPUT Date Time - Print list type 11 serial number 20 Address 129815 Length 809 Created on + Print list type 11 serial number 20 Address 126543 Length 809 Created on Inverse matrix @@ -8430,7 +8426,6 @@ ___________ 92 reflections accepted 0 reflections rejected #LIST 5 -Bonds: Update required - List5 length change #LIST 12 #CLEAR 16 #LIST 16 @@ -8443,7 +8438,7 @@ Bonds: Update required - List5 length change P6122 TEST DECK FROM LARSON - MUCH MODIFIED FOR CRYSTALS Date Time - Print list type 5 serial number 30 Address 135041 Length 150 Created on + Print list type 5 serial number 30 Address 131725 Length 150 Created on @@ -8622,7 +8617,7 @@ LS-scale= 1.000 Wilson Scale= 0.000 P6122 TEST DECK FROM LARSON - MUCH MODIFIED FOR CRYSTALS Date Time - Print list type 6 serial number 118 Address 134330 Length 711 Created on + Print list type 6 serial number 118 Address 131014 Length 711 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -8839,124 +8834,14 @@ LS-scale= 1.000 Wilson Scale= 0.000 4 * -4 -8 -9 -7 -4 -1 5 * -9 -7 -1 4 5 3 -# TRIAL ALMOST CERTAINLY DOES NOT WORK -#TRIAL - - - - Structure factors end after 12 reflection(s) - - - - Scale factor 0.184E-01 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 0 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 1 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 2 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 3 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 4 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 5 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 6 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 7 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 8 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 9 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 - - 10 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 - - 11 * 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 - - 12 * 179 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 1 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 1 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 2 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 3 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 4 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 5 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 6 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 7 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 8 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 9 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 10 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 - - 11 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 - - 12 * 230 221 170 200 130 176 212 198 156 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 2 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 145 - - 1 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 2 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 3 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 4 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 5 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 6 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 7 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 8 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 9 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 10 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 107 - - 11 * 170 200 130 176 212 198 156 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 - - 12 * 221 170 200 130 176 212 198 156 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 +# \ TRIAL ALMOST CERTAINLY DOES NOT WORK +# \TRIAL +# MAP /FO/-MIN= 45 +# DISPLACEMENT .1 -.2 .3 +# DOWN 13 0 .02 0 +# ACROSS 26 .02 0 0 +# THROUGH 3 0 0 -.1 +# END #END diff --git a/test_suite/INW64GH.org/tls.out b/test_suite/INW64GH.org/tls.out index 294510644..e6759751b 100644 --- a/test_suite/INW64GH.org/tls.out +++ b/test_suite/INW64GH.org/tls.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -310,6 +309,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is 1/FO #SFLS @@ -469,8 +471,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -511,12 +513,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -561,57 +563,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -693,8 +695,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -738,12 +740,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -788,57 +790,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -920,8 +922,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -965,12 +967,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -1015,57 +1017,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1162,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -1203,12 +1205,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -1253,57 +1255,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1385,8 +1387,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1430,12 +1432,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -1480,57 +1482,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1612,8 +1614,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1657,12 +1659,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -1707,57 +1709,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1839,8 +1841,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1879,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1930,57 +1932,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2079,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -2132,15 +2134,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2185,57 +2187,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2317,8 +2319,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -2363,15 +2365,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2416,57 +2418,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2511,7 +2513,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2680,7 +2681,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -2697,11 +2697,11 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2971,8 +2971,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -3011,15 +3011,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -3064,57 +3064,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3196,8 +3196,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3238,15 +3238,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -3291,57 +3291,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3423,8 +3423,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3468,12 +3468,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -3518,57 +3518,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -3663,8 +3663,8 @@ LS-scale= 1.591 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.25E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 32 32 0.029 0.0E+00 0.42 E-02 6.9 C 4 U[11] [14] S/ESD 33 33 -0.017 0.0E+00 0.38 E-02 -4.5 C 4 U[22] [14] S/ESD 37 37 0.011 0.0E+00 0.40 E-02 2.7 C 4 U[12] @@ -3709,12 +3709,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.00 0.00 0.01 -[31] 0.004 0.003 0.007 +[31] 0.004 0.003 0.007 [03] Reversals @@ -3759,57 +3759,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.006 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3892,8 +3892,8 @@ LS-scale= 1.583 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.29E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.29E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -3933,12 +3933,12 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [03] Reversals @@ -3983,57 +3983,57 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.005 0.006 +[31] 0.009 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4116,8 +4116,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4154,15 +4154,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4207,57 +4207,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4340,8 +4340,8 @@ LS-scale= 1.586 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4378,15 +4378,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4431,57 +4431,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #ANISO @@ -4505,9 +4505,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 14.35 -20.88 7.8 0.03 -0.00 0.00 -0.02 0.09 0.02 -[35] -20.88 55.18 -12.7 -0.00 0.03 -0.00 -0.29 0.08 -0.12 -[35] 7.83 -12.75 22.1 0.00 -0.00 0.03 -0.16 0.07 -0.06 +[35] 14.35 -20.89 7.84 0.03 -0.00 0.00 -0.03 0.10 0.03 +[35] -20.89 55.19 -12.75 -0.00 0.03 -0.00 -0.30 0.09 -0.12 +[35] 7.84 -12.75 22.13 0.00 -0.00 0.03 -0.16 0.07 -0.06 @@ -4532,9 +4532,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.03 0.00 0.00 -0.05 -0.02 0.13 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.18 -0.06 -0.21 -[35] 0.00 0.00 68.6 0.00 0.00 0.03 -0.16 0.09 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 -0.03 0.13 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.18 -0.07 -0.22 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 -0.16 0.10 0.12 @@ -4553,9 +4553,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.00 -0.06 0.00 -[35] 0.00 0.00 68.6 0.00 0.00 0.02 0.00 0.00 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 0.00 0.00 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.00 -0.07 0.00 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 0.00 0.00 0.12 @@ -4599,7 +4599,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 3 Address 83583 Length 234 Created on + Print list type 20 serial number 3 Address 82589 Length 234 Created on @@ -4740,9 +4740,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.96 0.39 -3.9 0.02 0.00 -0.00 0.00 -0.00 -0.15 -[35] 0.39 11.22 5.8 0.00 0.03 0.00 0.07 0.10 -0.10 -[35] -3.92 5.88 19.0 -0.00 0.00 0.03 0.14 0.39 -0.10 +[35] 4.97 0.39 -3.92 0.02 0.00 -0.00 0.00 -0.01 -0.15 +[35] 0.39 11.22 5.88 0.00 0.03 0.00 0.08 0.11 -0.11 +[35] -3.92 5.88 19.07 -0.00 0.00 0.03 0.14 0.40 -0.11 @@ -4767,9 +4767,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 -0.00 0.00 -0.05 0.13 -0.08 -[35] 0.00 9.05 0.0 -0.00 0.03 -0.00 -0.00 0.00 -0.12 -[35] 0.00 0.00 22.8 0.00 -0.00 0.03 -0.01 0.44 0.04 +[35] 3.37 0.00 0.00 0.02 -0.00 0.00 -0.05 0.14 -0.09 +[35] 0.00 9.06 0.00 -0.00 0.03 -0.00 -0.01 0.01 -0.13 +[35] 0.00 0.00 22.83 0.00 -0.00 0.03 -0.01 0.44 0.04 @@ -4788,9 +4788,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 9.05 0.0 0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 22.8 0.00 0.00 0.02 0.00 0.00 0.04 +[35] 3.37 0.00 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 +[35] 0.00 9.06 0.00 0.00 0.02 0.00 0.00 0.01 0.00 +[35] 0.00 0.00 22.83 0.00 0.00 0.03 0.00 0.00 0.04 @@ -4831,7 +4831,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 4 Address 83817 Length 234 Created on + Print list type 20 serial number 4 Address 82823 Length 234 Created on @@ -4972,9 +4972,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.47 0.60 -1.2 0.02 0.00 0.00 0.02 0.06 -0.08 -[35] 0.60 11.29 6.5 0.00 0.02 -0.00 -0.05 0.01 -0.03 -[35] -1.29 6.59 15.0 0.00 -0.00 0.03 0.02 0.18 -0.04 +[35] 4.48 0.61 -1.30 0.02 0.00 0.00 0.02 0.06 -0.08 +[35] 0.61 11.30 6.60 0.00 0.03 -0.00 -0.06 0.02 -0.03 +[35] -1.30 6.60 15.03 0.00 -0.00 0.03 0.02 0.18 -0.04 @@ -4999,9 +4999,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.13 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 -0.03 -0.03 -0.06 -[35] 0.00 0.00 20.0 0.00 -0.00 0.03 -0.08 0.13 0.05 +[35] 3.81 0.00 0.00 0.03 -0.00 0.00 -0.01 0.13 0.00 +[35] 0.00 6.95 0.00 -0.00 0.03 -0.00 -0.03 -0.04 -0.06 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 -0.08 0.13 0.05 @@ -5020,9 +5020,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.00 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 0.00 -0.03 0.00 -[35] 0.00 0.00 20.0 0.00 -0.00 0.02 0.00 0.00 0.05 +[35] 3.81 0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 +[35] 0.00 6.95 0.00 -0.00 0.02 -0.00 0.00 -0.04 0.00 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 0.00 0.00 0.05 @@ -5066,7 +5066,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 5 Address 84051 Length 234 Created on + Print list type 20 serial number 5 Address 83057 Length 234 Created on @@ -5207,9 +5207,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.18 0.61 1.7 0.02 0.00 -0.00 0.04 0.03 -0.06 -[35] 0.61 12.54 0.0 0.00 0.02 -0.00 -0.20 -0.00 0.04 -[35] 1.75 0.03 15.1 -0.00 -0.00 0.03 -0.15 0.02 -0.03 +[35] 4.19 0.61 1.75 0.03 0.00 -0.00 0.04 0.04 -0.07 +[35] 0.61 12.54 0.04 0.00 0.03 -0.00 -0.20 -0.01 0.04 +[35] 1.75 0.04 15.15 -0.00 -0.00 0.03 -0.15 0.03 -0.03 @@ -5234,9 +5234,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 0.00 -0.00 0.08 0.04 -0.05 -[35] 0.00 12.57 0.0 0.00 0.02 -0.00 -0.19 -0.02 0.01 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 -0.14 0.02 -0.06 +[35] 3.87 0.00 0.00 0.03 0.00 -0.00 0.09 0.04 -0.05 +[35] 0.00 12.58 0.00 0.00 0.03 -0.00 -0.20 -0.02 0.01 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 -0.15 0.03 -0.06 @@ -5255,9 +5255,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 -0.00 -0.00 0.08 0.00 0.00 -[35] 0.00 12.57 0.0 -0.00 0.02 -0.00 0.00 -0.02 0.00 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 0.00 0.00 -0.06 +[35] 3.87 0.00 0.00 0.02 -0.00 -0.00 0.09 0.00 0.00 +[35] 0.00 12.58 0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 0.00 0.00 -0.06 @@ -5313,7 +5313,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 6 Address 84285 Length 234 Created on + Print list type 20 serial number 6 Address 83291 Length 234 Created on diff --git a/test_suite/INW64GH.org/twin2.out b/test_suite/INW64GH.org/twin2.out index 71cbd5548..1fbfbb45e 100644 --- a/test_suite/INW64GH.org/twin2.out +++ b/test_suite/INW64GH.org/twin2.out @@ -10,7 +10,9 @@ #LIST 4 #LIST 5 #EDIT +#BONDCALC Bonds: Update required - There is no list 41 +#EDIT #LIST 13 The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -202,8 +204,8 @@ LS-scale= 10.008 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.55E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 5.55E-05 +[80a] Block No 1. Single precision relative error: 6E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 6E-05 S/ESD 1 1 -0.094 0.0E+00 0.485E-01 -1.95 SCALE Composite @@ -274,12 +276,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.006 0.009 +[31] 0.012 0.006 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.009 0.017 +[31] 0.018 0.009 0.017 [03] Reversals @@ -335,37 +337,37 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.000 0.005 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.005 0.005 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.004 0.004 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.005 +[31] 0.009 0.009 0.005 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.005 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.005 +[31] 0.008 0.008 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC NO NO @@ -1240,8 +1242,8 @@ LS-scale= 9.913 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.17E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.17E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 S/ESD 1 1 -0.069 0.7E+00 0.517E-01 -1.33 SCALE Composite @@ -1290,12 +1292,12 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.001 +[31] 0.005 0.004 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.002 +[31] 0.009 0.006 0.002 [03] Reversals @@ -1351,37 +1353,37 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1470,8 +1472,8 @@ LS-scale= 9.844 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.35E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.35E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 for 44 parameters [64] The rms (shift/su) = 0. @@ -1515,12 +1517,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -1576,37 +1578,37 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.003 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #FINI diff --git a/test_suite/INW64GHGUI.org/absorb.out b/test_suite/INW64GHGUI.org/absorb.out index 73a93639c..36dac68bf 100644 --- a/test_suite/INW64GHGUI.org/absorb.out +++ b/test_suite/INW64GHGUI.org/absorb.out @@ -16,7 +16,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -48,16 +48,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 53 @@ -115,16 +115,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 -0.58 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.68 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 1.04 2.35 -[35] 1.87 0.00 0.0 0.00 0.00 0.00 0.00 0.10 103.68 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 -0.59 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.68 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 1.05 2.35 +[35] 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.11 103.69 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 The updated reflections are now on UNIT 52 @@ -145,7 +145,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.079 -0.093 [89] -0.09 0.02 -0.10 @@ -177,16 +177,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 129.91 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.05 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 129.91 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 The updated reflections are now on UNIT 53 @@ -208,7 +208,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -233,16 +233,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 52 @@ -259,7 +259,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -286,16 +286,16 @@ -4. -2. -1. Excessive shape correction Inclinations 0.045 0.388 0.040 Correction 5.088 -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 4.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 3.8 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.4 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.6 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 2.4 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 53 @@ -309,7 +309,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -341,16 +341,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 52 diff --git a/test_suite/INW64GHGUI.org/amp.out b/test_suite/INW64GHGUI.org/amp.out index 89007043f..2d5c48744 100644 --- a/test_suite/INW64GHGUI.org/amp.out +++ b/test_suite/INW64GHGUI.org/amp.out @@ -469,8 +469,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +510,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +560,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +692,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +737,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +787,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +919,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +957,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1010,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1155,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1199,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1249,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1381,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1426,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1476,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1608,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1653,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1703,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1835,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1877,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1930,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2077,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2130,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2183,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2315,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2361,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2414,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GHGUI.org/batch.out b/test_suite/INW64GHGUI.org/batch.out index a03308a94..ef2349c69 100644 --- a/test_suite/INW64GHGUI.org/batch.out +++ b/test_suite/INW64GHGUI.org/batch.out @@ -242,8 +242,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -283,12 +283,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -344,57 +344,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -476,8 +476,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -518,15 +518,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.004 [03] Reversals @@ -582,57 +582,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -714,8 +714,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.19E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.19E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -756,15 +756,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -820,57 +820,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -953,8 +953,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.15E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.15E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -991,15 +991,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1055,57 +1055,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1199,8 +1199,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.19 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -1242,12 +1242,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -1303,57 +1303,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1435,8 +1435,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -1481,12 +1481,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -1542,57 +1542,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1674,8 +1674,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1716,15 +1716,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -1780,57 +1780,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1913,8 +1913,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1951,15 +1951,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2015,57 +2015,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2160,8 +2160,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.79 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -2213,12 +2213,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -2274,57 +2274,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2406,8 +2406,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.38 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -2450,15 +2450,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -2514,57 +2514,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2646,8 +2646,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2691,12 +2691,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -2752,57 +2752,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2885,8 +2885,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2926,12 +2926,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -2987,57 +2987,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3290,8 +3290,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -3330,15 +3330,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3471,8 +3471,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -3515,15 +3515,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3656,8 +3656,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3698,15 +3698,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3910,8 +3910,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3948,15 +3948,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4153,8 +4153,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -4193,15 +4193,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4334,8 +4334,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4376,15 +4376,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4517,8 +4517,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4555,15 +4555,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4772,8 +4772,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -4813,15 +4813,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4954,8 +4954,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -4998,15 +4998,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5139,8 +5139,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -5181,15 +5181,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5408,8 +5408,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5449,12 +5449,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -5510,57 +5510,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5642,8 +5642,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5684,15 +5684,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5748,57 +5748,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5880,8 +5880,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.55E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.55E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5922,15 +5922,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5986,57 +5986,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -6201,8 +6201,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -6239,15 +6239,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -6303,57 +6303,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -6448,8 +6448,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -6491,15 +6491,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -6555,57 +6555,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -6687,8 +6687,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -6732,12 +6732,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.024 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -6793,57 +6793,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6925,8 +6925,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -6967,15 +6967,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -7031,57 +7031,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -7246,8 +7246,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -7284,15 +7284,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7348,57 +7348,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7493,8 +7493,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.139E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.7 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.2 O 3 U[22] @@ -7547,12 +7547,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.009 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.02 -[31] 0.016 0.006 0.010 +[31] 0.016 0.007 0.010 [03] Reversals @@ -7608,57 +7608,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.17 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7740,8 +7740,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.62 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.5 C 4 U[11] @@ -7784,15 +7784,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [03] Reversals @@ -7848,57 +7848,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7980,8 +7980,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8025,12 +8025,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -8086,57 +8086,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -8301,8 +8301,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8339,15 +8339,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -8403,57 +8403,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -8690,8 +8690,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -8731,12 +8731,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -8792,57 +8792,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8924,8 +8924,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -8966,15 +8966,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.005 [03] Reversals @@ -9030,57 +9030,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9162,8 +9162,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9204,15 +9204,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9268,57 +9268,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -9401,8 +9401,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9439,15 +9439,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9503,57 +9503,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9647,8 +9647,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.18 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -9690,12 +9690,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -9751,57 +9751,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9883,8 +9883,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -9929,12 +9929,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -9990,57 +9990,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10122,8 +10122,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10164,15 +10164,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -10228,57 +10228,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10361,8 +10361,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.25E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.25E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10399,15 +10399,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10463,57 +10463,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -10608,8 +10608,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.80 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -10661,12 +10661,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -10722,57 +10722,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10854,8 +10854,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.37 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -10898,15 +10898,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -10962,57 +10962,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11094,8 +11094,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11139,12 +11139,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -11200,57 +11200,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11333,8 +11333,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11374,12 +11374,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -11435,57 +11435,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -11738,8 +11738,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -11778,15 +11778,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11919,8 +11919,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -11963,15 +11963,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12104,8 +12104,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12146,15 +12146,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12358,8 +12358,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12396,15 +12396,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12601,8 +12601,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -12641,15 +12641,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12782,8 +12782,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12824,15 +12824,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12965,8 +12965,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -13003,15 +13003,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13220,8 +13220,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -13261,15 +13261,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13402,8 +13402,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -13446,15 +13446,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13587,8 +13587,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -13629,15 +13629,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13856,8 +13856,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.51E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -13897,12 +13897,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -13958,57 +13958,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14090,8 +14090,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.53E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.53E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14132,15 +14132,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14196,57 +14196,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14328,8 +14328,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14370,15 +14370,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14434,57 +14434,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14649,8 +14649,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14687,15 +14687,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14751,57 +14751,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -14896,8 +14896,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -14939,15 +14939,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -15003,57 +15003,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -15135,8 +15135,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -15180,12 +15180,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.025 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -15241,57 +15241,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15373,8 +15373,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15415,15 +15415,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -15479,57 +15479,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -15694,8 +15694,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15732,15 +15732,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -15796,57 +15796,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15941,8 +15941,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.140E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.8 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.1 O 3 U[22] @@ -15997,12 +15997,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.003 0.004 +[31] 0.009 0.004 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.017 0.005 0.007 +[31] 0.017 0.006 0.007 [03] Reversals @@ -16058,57 +16058,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16190,8 +16190,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.63 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.6 C 4 U[11] @@ -16234,15 +16234,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.001 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.007 0.005 [03] Reversals @@ -16298,57 +16298,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16430,8 +16430,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16475,12 +16475,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -16536,57 +16536,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -16751,8 +16751,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16789,15 +16789,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -16853,57 +16853,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -17140,8 +17140,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -17179,15 +17179,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -17243,57 +17243,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17375,8 +17375,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17417,15 +17417,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -17481,57 +17481,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17613,8 +17613,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17658,12 +17658,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -17719,57 +17719,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -17852,8 +17852,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17890,15 +17890,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -17954,57 +17954,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -18098,8 +18098,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -18142,12 +18142,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -18203,57 +18203,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18335,8 +18335,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -18381,12 +18381,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -18442,57 +18442,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18574,8 +18574,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18619,12 +18619,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -18680,57 +18680,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -18813,8 +18813,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18854,12 +18854,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -18915,57 +18915,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -19060,8 +19060,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.41 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -19120,12 +19120,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -19181,57 +19181,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -19313,8 +19313,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.435E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -19360,12 +19360,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -19421,57 +19421,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19553,8 +19553,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19598,12 +19598,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -19659,57 +19659,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19792,8 +19792,8 @@ LS-scale= 1.658 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19833,12 +19833,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -19894,57 +19894,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -20192,8 +20192,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -20232,15 +20232,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20368,8 +20368,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -20412,15 +20412,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20548,8 +20548,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -20592,15 +20592,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20799,8 +20799,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -20839,15 +20839,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21036,8 +21036,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -21076,15 +21076,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21217,8 +21217,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21259,15 +21259,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21400,8 +21400,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21442,15 +21442,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21659,8 +21659,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 2 @@ -21700,15 +21700,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21841,8 +21841,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.95E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.88 SCALE for 2 parameters @@ -21884,15 +21884,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22025,8 +22025,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -22067,15 +22067,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22294,8 +22294,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22335,12 +22335,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -22396,57 +22396,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22528,8 +22528,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22566,15 +22566,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22630,57 +22630,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -22845,8 +22845,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22883,15 +22883,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22947,57 +22947,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -23092,8 +23092,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.9 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -23138,12 +23138,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -23199,57 +23199,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -23331,8 +23331,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -23377,12 +23377,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -23438,57 +23438,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23570,8 +23570,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23615,12 +23615,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -23676,57 +23676,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -23891,8 +23891,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23929,15 +23929,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -23993,57 +23993,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -24138,8 +24138,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -24198,12 +24198,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -24259,57 +24259,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24391,8 +24391,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -24438,12 +24438,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -24499,57 +24499,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24631,8 +24631,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24676,12 +24676,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -24737,57 +24737,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -24952,8 +24952,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24993,12 +24993,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -25054,57 +25054,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -25342,8 +25342,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -25381,15 +25381,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -25445,57 +25445,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25577,8 +25577,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25619,15 +25619,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -25683,57 +25683,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25815,8 +25815,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25860,12 +25860,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -25921,57 +25921,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -26054,8 +26054,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -26092,15 +26092,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -26156,57 +26156,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -26300,8 +26300,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -26344,12 +26344,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -26405,57 +26405,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26537,8 +26537,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -26583,12 +26583,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -26644,57 +26644,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26776,8 +26776,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -26821,12 +26821,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -26882,57 +26882,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -27015,8 +27015,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -27056,12 +27056,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -27117,57 +27117,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -27262,8 +27262,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.42 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -27322,12 +27322,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -27383,57 +27383,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -27515,8 +27515,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.436E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -27562,12 +27562,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -27623,57 +27623,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27755,8 +27755,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -27800,12 +27800,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -27861,57 +27861,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -27994,8 +27994,8 @@ LS-scale= 1.659 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -28035,12 +28035,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -28096,57 +28096,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -28394,8 +28394,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -28434,15 +28434,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28570,8 +28570,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -28614,15 +28614,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28750,8 +28750,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -28794,15 +28794,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29001,8 +29001,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -29041,15 +29041,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29238,8 +29238,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -29278,15 +29278,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29419,8 +29419,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29461,15 +29461,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29602,8 +29602,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29644,15 +29644,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29861,8 +29861,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 2 @@ -29902,15 +29902,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30043,8 +30043,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.96E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.87 SCALE for 2 parameters @@ -30086,15 +30086,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30227,8 +30227,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -30269,15 +30269,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30496,8 +30496,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30537,12 +30537,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -30598,57 +30598,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -30730,8 +30730,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30768,15 +30768,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30832,57 +30832,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -31047,8 +31047,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -31085,15 +31085,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -31149,57 +31149,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -31294,8 +31294,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.8 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -31340,12 +31340,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -31401,57 +31401,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -31533,8 +31533,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -31579,12 +31579,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -31640,57 +31640,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31772,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -31817,12 +31817,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -31878,57 +31878,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -32093,8 +32093,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -32131,15 +32131,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32195,57 +32195,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -32340,8 +32340,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -32400,12 +32400,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -32461,57 +32461,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32593,8 +32593,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -32640,12 +32640,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -32701,57 +32701,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32833,8 +32833,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -32878,12 +32878,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -32939,57 +32939,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -33154,8 +33154,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -33195,12 +33195,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -33256,57 +33256,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GHGUI.org/bigsfls.out b/test_suite/INW64GHGUI.org/bigsfls.out index 377529115..614d67483 100644 --- a/test_suite/INW64GHGUI.org/bigsfls.out +++ b/test_suite/INW64GHGUI.org/bigsfls.out @@ -2084,8 +2084,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.17E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2.17E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2E-05 Composite Composite @@ -2465,12 +2465,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.004 0.009 +[31] 0.026 0.004 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.04 0.01 0.01 0.01 -[31] 0.113 0.007 0.042 +[31] 0.114 0.008 0.043 [03] Reversals @@ -2515,742 +2515,742 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.007 0.011 0.009 +[31] 0.008 0.011 0.010 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.008 0.010 0.006 +[31] 0.008 0.010 0.007 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.008 0.010 0.007 +[31] 0.008 0.011 0.007 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.007 0.010 0.009 +[31] 0.007 0.011 0.010 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.23 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.04 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.010 0.005 0.011 +[31] 0.010 0.006 0.011 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.007 0.005 0.008 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.005 +[31] 0.006 0.007 0.006 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.008 0.007 0.008 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.006 0.008 0.008 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.008 +[31] 0.006 0.007 0.008 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.007 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.007 0.007 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.006 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.008 0.009 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.008 +[31] 0.007 0.006 0.008 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.007 0.008 0.008 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.009 0.007 0.008 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.009 +[31] 0.007 0.010 0.010 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.010 +[31] 0.009 0.007 0.010 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.008 0.010 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.009 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.006 0.007 0.009 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.006 +[31] 0.009 0.008 0.006 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.008 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.008 0.007 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.008 +[31] 0.008 0.006 0.008 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.007 +[31] 0.006 0.009 0.007 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.009 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.010 +[31] 0.008 0.007 0.010 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.007 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.007 0.009 0.007 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.010 +[31] 0.009 0.008 0.010 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.008 +[31] 0.011 0.010 0.009 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.011 +[31] 0.011 0.008 0.011 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.010 +[31] 0.008 0.008 0.010 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.009 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.008 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.009 +[31] 0.010 0.007 0.010 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.009 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.03 -[31] 0.122 0.123 0.128 +[31] 0.122 0.124 0.129 [37] H 116. 1.00 1.00 0.51 0.41 0.11 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.010 +[31] 0.010 0.007 0.010 [37] H 115. 1.00 1.00 0.57 0.53 0.00 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.011 0.006 [37] H 114. 1.00 1.00 0.58 0.68 0.01 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.008 [37] H 113. 1.00 1.00 0.52 0.69 0.14 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] H 112. 1.00 1.00 0.45 0.57 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.010 0.007 [37] H 126. 1.00 1.00 0.61 0.30 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] H 125. 1.00 1.00 0.72 0.17 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.011 +[31] 0.007 0.012 0.012 [37] H 124. 1.00 1.00 0.68 0.08 0.19 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.009 0.012 [37] H 123. 1.00 1.00 0.52 0.12 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.010 0.011 [37] H 122. 1.00 1.00 0.42 0.25 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.010 +[31] 0.008 0.011 0.011 [37] H 136. 1.00 1.00 0.33 0.32 0.45 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.009 0.010 +[31] 0.007 0.009 0.010 [37] H 135. 1.00 1.00 0.37 0.31 0.56 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.006 [37] H 134. 1.00 1.00 0.52 0.38 0.54 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] H 133. 1.00 1.00 0.62 0.45 0.41 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.011 +[31] 0.008 0.010 0.011 [37] H 132. 1.00 1.00 0.58 0.46 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.006 +[31] 0.009 0.009 0.007 [37] H 216. 1.00 1.00 0.24 0.72 0.20 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.010 0.010 0.008 [37] H 215. 1.00 1.00 0.31 0.81 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.011 +[31] 0.011 0.006 0.011 [37] H 214. 1.00 1.00 0.35 0.74 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.010 0.010 0.012 [37] H 213. 1.00 1.00 0.32 0.59 0.44 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.007 +[31] 0.010 0.011 0.008 [37] H 212. 1.00 1.00 0.25 0.50 0.39 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.009 +[31] 0.010 0.006 0.009 [37] H 226. 1.00 1.00 0.05 0.68 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.008 +[31] 0.012 0.010 0.009 [37] H 225. 1.00 1.00 -0.11 0.73 0.31 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.014 +[31] 0.013 0.009 0.014 [37] H 224. 1.00 1.00 -0.19 0.62 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.014 0.013 +[31] 0.007 0.014 0.013 [37] H 223. 1.00 1.00 -0.12 0.48 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.012 0.012 0.009 [37] H 222. 1.00 1.00 0.04 0.43 0.41 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.007 0.011 +[31] 0.012 0.007 0.012 [37] H 236. 1.00 1.00 0.06 0.55 0.17 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.011 +[31] 0.007 0.011 0.011 [37] H 235. 1.00 1.00 0.08 0.60 0.03 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.013 +[31] 0.011 0.012 0.013 [37] H 234. 1.00 1.00 0.23 0.66 -0.06 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.007 +[31] 0.014 0.011 0.007 [37] H 233. 1.00 1.00 0.36 0.67 -0.01 0.07 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] H 232. 1.00 1.00 0.34 0.61 0.12 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.012 +[31] 0.008 0.011 0.012 [37] H 316. 1.00 1.00 0.17 0.17 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.011 +[31] 0.007 0.011 0.012 [37] H 315. 1.00 1.00 0.27 0.11 0.64 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.006 +[31] 0.013 0.011 0.007 [37] H 314. 1.00 1.00 0.44 0.07 0.59 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.012 0.011 0.012 [37] H 313. 1.00 1.00 0.52 0.09 0.45 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.013 +[31] 0.006 0.011 0.013 [37] H 312. 1.00 1.00 0.42 0.14 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.011 0.011 0.007 [37] H 326. 1.00 1.00 0.07 0.09 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.009 0.011 [37] H 325. 1.00 1.00 -0.08 0.07 0.51 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.011 0.009 0.013 [37] H 324. 1.00 1.00 -0.16 0.16 0.59 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.012 0.010 +[31] 0.007 0.013 0.010 [37] H 323. 1.00 1.00 -0.07 0.28 0.58 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] H 322. 1.00 1.00 0.08 0.31 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.008 0.012 [37] H 336. 1.00 1.00 0.19 0.22 0.23 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.010 0.008 0.012 [37] H 335. 1.00 1.00 0.23 0.11 0.15 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.008 +[31] 0.012 0.014 0.009 [37] H 334. 1.00 1.00 0.31 -0.02 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.012 0.012 0.013 [37] H 333. 1.00 1.00 0.35 -0.07 0.32 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.014 +[31] 0.011 0.008 0.014 [37] H 332. 1.00 1.00 0.31 0.03 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.011 0.012 0.009 [37] H 413. 1.00 1.00 -0.29 0.59 0.15 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.011 +[31] 0.009 0.010 0.011 [37] H 415. 1.00 1.00 -0.29 0.54 0.12 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.010 0.012 0.010 [37] H 416. 1.00 1.00 -0.17 0.38 0.15 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.012 0.010 0.011 [37] H 412. 1.00 1.00 -0.20 0.61 0.27 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.009 0.011 +[31] 0.012 0.010 0.012 [37] H 414. 1.00 1.00 -0.09 0.47 0.29 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [37] H 426. 1.00 1.00 -0.09 0.20 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.013 +[31] 0.009 0.012 0.013 [37] H 425. 1.00 1.00 0.00 0.17 0.05 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.016 +[31] 0.016 0.011 0.016 [37] H 424. 1.00 1.00 0.14 0.23 -0.03 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.010 +[31] 0.015 0.014 0.010 [37] H 423. 1.00 1.00 0.21 0.33 0.00 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.012 +[31] 0.009 0.013 0.012 [37] H 422. 1.00 1.00 0.13 0.37 0.11 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.014 +[31] 0.013 0.010 0.015 [37] H 436. 1.00 1.00 -0.02 0.12 0.30 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.011 +[31] 0.008 0.013 0.012 [37] H 435. 1.00 1.00 -0.13 0.01 0.39 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.007 0.014 +[31] 0.015 0.007 0.014 [37] H 434. 1.00 1.00 -0.29 0.05 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] H 433. 1.00 1.00 -0.34 0.20 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.015 0.011 +[31] 0.008 0.015 0.011 [37] H 432. 1.00 1.00 -0.24 0.32 0.36 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.013 +[31] 0.013 0.008 0.013 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.066 0.224 0.384 0.225 0.178 1.306 Might be split @@ -3356,8 +3356,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.30E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.30E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -3394,15 +3394,15 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -3447,442 +3447,442 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.000 0.001 0.001 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.000 0.002 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 222. 1.00 1.00 0.00 0.50 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 322. 1.00 1.00 0.04 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 325. 1.00 1.00 -0.04 0.11 0.50 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -3992,8 +3992,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.76E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.76E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 [14] S/ESD 217 217 -0.012 0.0E+00 0.79 E-03 -15.0 C 414 X [14] S/ESD 219 219 -0.010 0.0E+00 0.63 E-03 -16.9 C 414 Z @@ -4035,12 +4035,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.030 +[31] 0.029 0.024 0.030 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.174 0.155 0.200 +[31] 0.175 0.155 0.201 [03] Reversals @@ -4085,437 +4085,437 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.006 0.007 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.019 +[31] 0.017 0.016 0.019 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.017 +[31] 0.016 0.019 0.017 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.014 +[31] 0.016 0.016 0.015 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.017 +[31] 0.016 0.018 0.017 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.017 +[31] 0.015 0.017 0.017 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.016 0.027 +[31] 0.021 0.016 0.028 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.011 0.012 0.012 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.011 +[31] 0.009 0.011 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.012 0.013 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.013 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.015 0.014 0.013 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.012 +[31] 0.015 0.014 0.013 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.014 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.011 0.013 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.010 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.011 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.014 0.014 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.014 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.013 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.016 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.014 0.014 0.014 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.011 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.014 0.012 0.015 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.017 +[31] 0.015 0.013 0.017 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.012 0.016 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.013 0.011 0.014 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.010 0.013 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.015 0.012 0.016 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.016 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.014 0.014 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.014 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.017 +[31] 0.013 0.017 0.017 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.013 0.016 0.016 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.013 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 413. 1.00 1.00 -0.24 0.57 0.19 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.015 0.013 [37] C 414. 1.00 1.00 -0.15 0.49 0.24 0.05 [73] 0.00 -0.01 0.00 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.014 0.012 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.014 0.013 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.013 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.013 0.015 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.019 +[31] 0.018 0.016 0.019 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.015 +[31] 0.014 0.013 0.015 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.016 0.015 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.015 +[31] 0.016 0.017 0.015 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.017 0.015 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.015 0.015 0.014 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -4635,15 +4635,15 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.007 +[31] 0.004 0.004 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.017 0.058 +[31] 0.036 0.017 0.059 [03] Reversals @@ -4688,437 +4688,437 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.018 +[31] 0.016 0.015 0.018 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.016 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.015 0.014 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.017 0.016 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.016 +[31] 0.014 0.016 0.016 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.026 +[31] 0.020 0.015 0.026 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.011 0.011 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.010 0.008 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.011 0.012 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.014 0.013 0.012 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.010 +[31] 0.009 0.009 0.010 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.009 0.011 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.012 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.013 +[31] 0.011 0.014 0.013 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.012 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.014 0.015 0.015 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 225. 1.00 1.00 -0.08 0.67 0.33 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.014 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.016 +[31] 0.015 0.012 0.016 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.015 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.012 0.010 0.012 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.014 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.011 0.015 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.013 0.013 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.016 +[31] 0.013 0.016 0.016 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.015 +[31] 0.012 0.015 0.015 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.013 0.012 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [37] C 413. 1.00 1.00 -0.25 0.57 0.19 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.012 [37] C 414. 1.00 1.00 -0.15 0.50 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.011 0.013 0.011 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.012 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.013 0.012 0.014 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.015 0.018 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.013 0.012 0.014 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.012 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.013 +[31] 0.015 0.015 0.014 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.014 +[31] 0.015 0.016 0.014 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.016 0.014 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split diff --git a/test_suite/INW64GHGUI.org/difabs.out b/test_suite/INW64GHGUI.org/difabs.out index 44ad1f5d2..db60451a9 100644 --- a/test_suite/INW64GHGUI.org/difabs.out +++ b/test_suite/INW64GHGUI.org/difabs.out @@ -14,7 +14,7 @@ [89] 0.02 -0.08 0.05 -[31] 0.139 -0.000 -0.003 +[31] 0.139 -0.001 -0.003 #LIST 2 #LIST 6 #LIST 28 diff --git a/test_suite/INW64GHGUI.org/eigenfilter.out b/test_suite/INW64GHGUI.org/eigenfilter.out index f1f8c65c0..cfee6759b 100644 --- a/test_suite/INW64GHGUI.org/eigenfilter.out +++ b/test_suite/INW64GHGUI.org/eigenfilter.out @@ -508,12 +508,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -558,57 +558,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -733,12 +733,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -783,57 +783,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -951,15 +951,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1004,57 +1004,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1191,12 +1191,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1241,57 +1241,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1416,12 +1416,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1466,57 +1466,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1641,12 +1641,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1691,57 +1691,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1863,15 +1863,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1916,57 +1916,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2114,15 +2114,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2167,57 +2167,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2343,15 +2343,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2396,57 +2396,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2978,15 +2978,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3031,57 +3031,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3531,12 +3531,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -3581,57 +3581,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3756,12 +3756,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -3806,57 +3806,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3981,12 +3981,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4031,57 +4031,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4218,12 +4218,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4268,57 +4268,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4443,12 +4443,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4493,57 +4493,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4668,12 +4668,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -4718,57 +4718,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4890,15 +4890,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -4943,57 +4943,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5141,15 +5141,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.76 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5194,57 +5194,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5370,15 +5370,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5423,57 +5423,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -6003,15 +6003,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.008 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.014 0.023 0.018 [03] Reversals @@ -6056,57 +6056,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -6557,12 +6557,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -6607,57 +6607,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -6782,12 +6782,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -6832,57 +6832,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7007,12 +7007,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -7057,57 +7057,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -7243,12 +7243,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -7293,57 +7293,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7468,12 +7468,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -7518,57 +7518,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7693,12 +7693,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -7743,57 +7743,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7911,15 +7911,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7964,57 +7964,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8164,15 +8164,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8217,57 +8217,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8393,15 +8393,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8446,57 +8446,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -9037,15 +9037,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -9090,57 +9090,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -9591,12 +9591,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -9641,57 +9641,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -9816,12 +9816,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -9866,57 +9866,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10041,12 +10041,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -10091,57 +10091,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -10277,12 +10277,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -10327,57 +10327,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10502,12 +10502,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -10552,57 +10552,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10727,12 +10727,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -10777,57 +10777,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10945,15 +10945,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10998,57 +10998,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11198,15 +11198,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11251,57 +11251,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11427,15 +11427,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11480,57 +11480,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -12071,15 +12071,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -12124,57 +12124,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GHGUI.org/esd.out b/test_suite/INW64GHGUI.org/esd.out index 1dfb929f8..4ce6ebc73 100644 --- a/test_suite/INW64GHGUI.org/esd.out +++ b/test_suite/INW64GHGUI.org/esd.out @@ -843,8 +843,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -913,12 +913,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.003 0.005 [03] Reversals @@ -963,37 +963,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST @@ -1963,8 +1963,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.12E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -2025,12 +2025,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.002 0.005 [03] Reversals @@ -2075,37 +2075,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST diff --git a/test_suite/INW64GHGUI.org/flack.out b/test_suite/INW64GHGUI.org/flack.out index 61a246cd7..71ff64107 100644 --- a/test_suite/INW64GHGUI.org/flack.out +++ b/test_suite/INW64GHGUI.org/flack.out @@ -142,8 +142,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -180,15 +180,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -289,8 +289,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -327,15 +327,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -474,8 +474,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -513,15 +513,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -613,8 +613,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -651,15 +651,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -783,8 +783,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -821,15 +821,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -930,8 +930,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -968,15 +968,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1115,8 +1115,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -1154,15 +1154,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1254,8 +1254,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1292,15 +1292,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1425,8 +1425,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.4 E-02 -0.2 POLARITY for 1 parameters @@ -1464,15 +1464,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1573,8 +1573,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1611,15 +1611,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1758,8 +1758,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -2.0 0.0E+00 0.3 E+00 -6.0 POLARITY for 1 parameters @@ -1797,15 +1797,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1897,8 +1897,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 -0.9E-03 0.4 E-02 0.4 POLARITY for 1 parameters @@ -1936,15 +1936,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2069,8 +2069,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.1 E-02 -0.5 ENANTIO for 1 parameters @@ -2108,15 +2108,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2218,8 +2218,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -2256,15 +2256,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2403,8 +2403,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.9 0.0E+00 0.1 E+00 -6.7 ENANTIO for 1 parameters @@ -2442,15 +2442,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2542,8 +2542,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.6E-02 0.2 E-02 -3.1 ENANTIO for 1 parameters @@ -2581,15 +2581,15 @@ All cycle Min function 0.0 0.50E-03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2736,8 +2736,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 1 1 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 1 parameters @@ -2775,15 +2775,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -2828,7 +2828,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2879,8 +2879,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -2921,15 +2921,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -2974,7 +2974,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3026,8 +3026,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -3064,15 +3064,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3117,7 +3117,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3168,8 +3168,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 4. @@ -3210,15 +3210,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -3263,7 +3263,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FINALLY, INVERT POLARITY AND ENANTIOMER, @@ -3371,8 +3371,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.25E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 2 2 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 2 parameters @@ -3410,15 +3410,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -3463,7 +3463,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3515,8 +3515,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.28E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.28E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3557,15 +3557,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -3610,7 +3610,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3662,8 +3662,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3700,15 +3700,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3753,7 +3753,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3804,8 +3804,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 3. @@ -3846,15 +3846,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3899,7 +3899,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOW IMPORT AGS4, THE SHELX2013 TEST DATA @@ -4323,8 +4323,8 @@ LS-scale= 2.699 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.86E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.86E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 0.052 0.0E+00 0.335E-01 1.56 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.2 E-01 0.1 ENANTIO @@ -4366,12 +4366,12 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.001 0.002 0.006 [03] Reversals @@ -4416,42 +4416,42 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.045 0.093 0.310 0.149 0.109 0.632 Might be split @@ -4536,8 +4536,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.83E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.83E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 [13] LARGE 2 2 0.0 0.3E+00 0.2 E-01 0.0 ENANTIO for 56 parameters @@ -4582,12 +4582,12 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -4632,42 +4632,42 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.625 Might be split @@ -4752,8 +4752,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.82E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.82E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 for 56 parameters [64] The rms (shift/su) = 0. @@ -4793,12 +4793,12 @@ All cycle Rw 0.0 7.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [03] Reversals @@ -4843,42 +4843,42 @@ All cycle Rw 0.0 7.1 0.10E+03 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.624 Might be split diff --git a/test_suite/INW64GHGUI.org/fourier.out b/test_suite/INW64GHGUI.org/fourier.out index e6c6246df..a9ab20458 100644 --- a/test_suite/INW64GHGUI.org/fourier.out +++ b/test_suite/INW64GHGUI.org/fourier.out @@ -27949,8 +27949,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -27990,12 +27990,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -28040,57 +28040,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28172,8 +28172,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28217,12 +28217,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -28267,57 +28267,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28399,8 +28399,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28437,15 +28437,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -28490,57 +28490,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -28635,8 +28635,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -28679,12 +28679,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -28729,57 +28729,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28861,8 +28861,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -28906,12 +28906,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -28956,57 +28956,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29088,8 +29088,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29133,12 +29133,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -29183,57 +29183,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29315,8 +29315,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29357,15 +29357,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -29410,57 +29410,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -29557,8 +29557,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -29610,15 +29610,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29663,57 +29663,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29795,8 +29795,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -29841,15 +29841,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29894,57 +29894,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 diff --git a/test_suite/INW64GHGUI.org/geom.out b/test_suite/INW64GHGUI.org/geom.out index 0096e3b1f..c1422fbb8 100644 --- a/test_suite/INW64GHGUI.org/geom.out +++ b/test_suite/INW64GHGUI.org/geom.out @@ -189,9 +189,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 5.64 -0.82 -2.7 0.02 -0.00 0.00 -0.05 -0.06 0.11 -[35] -0.82 16.99 4.6 -0.00 0.03 -0.00 0.13 -0.06 0.04 -[35] -2.72 4.60 2.2 0.00 -0.00 0.03 -0.08 -0.38 0.11 +[35] 5.64 -0.82 -2.72 0.02 -0.00 0.00 -0.05 -0.06 0.11 +[35] -0.82 17.00 4.61 -0.00 0.03 -0.00 0.14 -0.06 0.05 +[35] -2.72 4.61 2.28 0.00 -0.00 0.03 -0.09 -0.39 0.11 @@ -216,9 +216,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.00 -0.00 0.14 -0.24 -0.28 -[35] 0.00 6.47 0.0 -0.00 0.02 0.00 0.05 0.00 0.08 -[35] 0.00 0.00 18.5 -0.00 0.00 0.02 0.13 0.04 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.00 -0.00 0.15 -0.24 -0.28 +[35] 0.00 6.47 0.00 -0.00 0.02 0.00 0.06 0.00 0.08 +[35] 0.00 0.00 18.51 -0.00 0.00 0.03 0.14 0.04 -0.15 @@ -237,9 +237,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.53 -0.62 0.14 0.00 0.00 -[35] 0.00 6.47 0.0 -0.53 0.88 1.01 0.00 0.00 0.00 -[35] 0.00 0.00 18.5 -0.62 1.01 1.21 0.00 0.00 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.54 -0.62 0.15 0.00 0.00 +[35] 0.00 6.47 0.00 -0.54 0.89 1.01 0.00 0.00 0.00 +[35] 0.00 0.00 18.51 -0.62 1.01 1.21 0.00 0.00 -0.15 diff --git a/test_suite/INW64GHGUI.org/layers.out b/test_suite/INW64GHGUI.org/layers.out index 4a7d68c2b..35b06943d 100644 --- a/test_suite/INW64GHGUI.org/layers.out +++ b/test_suite/INW64GHGUI.org/layers.out @@ -411,8 +411,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -459,12 +459,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -520,57 +520,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -652,8 +652,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -708,12 +708,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -769,57 +769,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -901,8 +901,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -954,12 +954,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -1015,57 +1015,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1160,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -1212,12 +1212,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -1273,57 +1273,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1405,8 +1405,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -1458,12 +1458,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -1519,57 +1519,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1651,8 +1651,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -1701,15 +1701,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -1765,57 +1765,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1897,8 +1897,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -1950,12 +1950,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -2011,57 +2011,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2158,8 +2158,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -2222,15 +2222,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2286,57 +2286,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2418,8 +2418,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -2471,15 +2471,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2535,57 +2535,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3228,8 +3228,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.77 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -3279,15 +3279,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3343,57 +3343,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3475,8 +3475,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -3525,15 +3525,15 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3589,57 +3589,57 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3721,8 +3721,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -3770,15 +3770,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3834,57 +3834,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -4291,8 +4291,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -4339,12 +4339,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -4400,57 +4400,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4532,8 +4532,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -4588,12 +4588,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -4649,57 +4649,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4781,8 +4781,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -4834,12 +4834,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -4895,57 +4895,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5040,8 +5040,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -5092,12 +5092,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -5153,57 +5153,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5285,8 +5285,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -5338,12 +5338,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -5399,57 +5399,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5531,8 +5531,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -5581,15 +5581,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -5645,57 +5645,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5777,8 +5777,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -5830,12 +5830,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -5891,57 +5891,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -6038,8 +6038,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -6102,15 +6102,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6166,57 +6166,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6298,8 +6298,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -6351,15 +6351,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6415,57 +6415,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -7106,8 +7106,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.76 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -7157,15 +7157,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7221,57 +7221,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7353,8 +7353,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -7403,15 +7403,15 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7467,57 +7467,57 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7599,8 +7599,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -7648,15 +7648,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7712,57 +7712,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -8169,8 +8169,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -8220,12 +8220,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -8281,57 +8281,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -8413,8 +8413,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -8467,12 +8467,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.019 0.044 [03] Reversals @@ -8528,57 +8528,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -8660,8 +8660,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -8714,12 +8714,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -8775,57 +8775,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -8920,8 +8920,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.49 E-02 2.2 C 4 U[ISO] @@ -8973,12 +8973,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -9034,57 +9034,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9166,8 +9166,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -9218,12 +9218,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -9279,57 +9279,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9411,8 +9411,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -9464,12 +9464,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -9525,57 +9525,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9657,8 +9657,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -9710,12 +9710,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -9771,57 +9771,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9918,8 +9918,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 370.0 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -9982,15 +9982,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 370. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10046,57 +10046,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10178,8 +10178,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 74.0 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -10234,15 +10234,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10298,57 +10298,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -10989,8 +10989,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.8 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.47 LAYER 1 @@ -11039,15 +11039,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11103,57 +11103,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11235,8 +11235,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -11290,15 +11290,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11354,57 +11354,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11486,8 +11486,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -11537,15 +11537,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11601,57 +11601,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -12058,8 +12058,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -12109,12 +12109,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -12170,57 +12170,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -12302,8 +12302,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -12356,12 +12356,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.020 0.044 [03] Reversals @@ -12417,57 +12417,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -12549,8 +12549,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -12603,12 +12603,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -12664,57 +12664,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -12809,8 +12809,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.50 E-02 2.2 C 4 U[ISO] @@ -12862,12 +12862,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -12923,57 +12923,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13055,8 +13055,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -13107,12 +13107,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -13168,57 +13168,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13300,8 +13300,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -13353,12 +13353,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -13414,57 +13414,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13546,8 +13546,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -13599,12 +13599,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -13660,57 +13660,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -13807,8 +13807,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 369.9 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -13871,15 +13871,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 369. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13935,57 +13935,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14067,8 +14067,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 73.9 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -14123,15 +14123,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14187,57 +14187,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14878,8 +14878,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.7 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.48 LAYER 1 @@ -14928,15 +14928,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14992,57 +14992,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15124,8 +15124,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -15179,15 +15179,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15243,57 +15243,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15375,8 +15375,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -15426,15 +15426,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15490,57 +15490,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GHGUI.org/neutron.out b/test_suite/INW64GHGUI.org/neutron.out index 734f3484f..505a508e7 100644 --- a/test_suite/INW64GHGUI.org/neutron.out +++ b/test_suite/INW64GHGUI.org/neutron.out @@ -395,8 +395,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -438,15 +438,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -491,97 +491,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -663,8 +663,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -708,12 +708,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -758,97 +758,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -930,8 +930,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -972,15 +972,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -1025,97 +1025,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1199,8 +1199,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1240,12 +1240,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -1290,97 +1290,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1462,8 +1462,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1507,12 +1507,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -1557,97 +1557,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1729,8 +1729,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1774,12 +1774,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1824,97 +1824,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1996,8 +1996,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -2034,15 +2034,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2087,97 +2087,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2274,8 +2274,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -2331,15 +2331,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2384,97 +2384,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2556,8 +2556,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -2600,15 +2600,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2653,97 +2653,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2826,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -2866,15 +2866,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -2919,97 +2919,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3091,8 +3091,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -3138,12 +3138,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -3188,97 +3188,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4021,8 +4021,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -4061,15 +4061,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4114,97 +4114,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4286,8 +4286,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -4330,15 +4330,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4383,97 +4383,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4555,8 +4555,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -4599,15 +4599,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4652,97 +4652,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -5128,8 +5128,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -5171,15 +5171,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -5224,97 +5224,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5396,8 +5396,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -5441,12 +5441,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -5491,97 +5491,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5663,8 +5663,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -5705,15 +5705,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -5758,97 +5758,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5932,8 +5932,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -5973,12 +5973,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -6023,97 +6023,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6195,8 +6195,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6240,12 +6240,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -6290,97 +6290,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6462,8 +6462,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6507,12 +6507,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6557,97 +6557,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6729,8 +6729,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6767,15 +6767,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6820,97 +6820,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7007,8 +7007,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -7064,15 +7064,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7117,97 +7117,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7289,8 +7289,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -7333,15 +7333,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7386,97 +7386,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7559,8 +7559,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -7599,15 +7599,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7652,97 +7652,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7824,8 +7824,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -7871,12 +7871,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7921,97 +7921,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8752,8 +8752,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -8792,15 +8792,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8845,97 +8845,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9017,8 +9017,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -9061,15 +9061,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9114,97 +9114,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9286,8 +9286,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -9330,15 +9330,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9383,97 +9383,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -9838,8 +9838,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -9900,15 +9900,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -9953,97 +9953,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -10125,8 +10125,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -10179,12 +10179,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -10229,97 +10229,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10401,8 +10401,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -10446,12 +10446,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -10496,97 +10496,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10670,8 +10670,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10711,12 +10711,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -10761,97 +10761,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10933,8 +10933,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10975,15 +10975,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11028,97 +11028,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11200,8 +11200,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -11238,15 +11238,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11291,97 +11291,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -11478,8 +11478,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -11538,15 +11538,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -11591,97 +11591,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11763,8 +11763,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -11810,12 +11810,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -11860,97 +11860,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12033,8 +12033,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -12073,15 +12073,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12126,97 +12126,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12298,8 +12298,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -12342,15 +12342,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12395,97 +12395,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13251,8 +13251,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -13291,15 +13291,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13344,97 +13344,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13516,8 +13516,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -13560,15 +13560,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13613,97 +13613,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13785,8 +13785,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -13829,15 +13829,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13882,97 +13882,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -14337,8 +14337,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -14399,15 +14399,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -14452,97 +14452,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -14624,8 +14624,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -14678,12 +14678,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -14728,97 +14728,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14900,8 +14900,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -14945,12 +14945,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -14995,97 +14995,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15169,8 +15169,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15210,12 +15210,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -15260,97 +15260,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15432,8 +15432,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15474,15 +15474,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15527,97 +15527,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15699,8 +15699,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15737,15 +15737,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15790,97 +15790,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15977,8 +15977,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -16037,15 +16037,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -16090,97 +16090,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16262,8 +16262,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -16309,12 +16309,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -16359,97 +16359,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16532,8 +16532,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -16572,15 +16572,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16625,97 +16625,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16797,8 +16797,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -16841,15 +16841,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16894,97 +16894,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17750,8 +17750,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -17790,15 +17790,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17843,97 +17843,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18015,8 +18015,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -18059,15 +18059,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18112,97 +18112,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18284,8 +18284,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -18328,15 +18328,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18381,97 +18381,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GHGUI.org/partial.out b/test_suite/INW64GHGUI.org/partial.out index 1035d4548..ccb6d1ac1 100644 --- a/test_suite/INW64GHGUI.org/partial.out +++ b/test_suite/INW64GHGUI.org/partial.out @@ -363,8 +363,8 @@ LS-scale= 6.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.71E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 5.71E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 6E-04 S/ESD 1 1 -0.192 0.0E+00 0.182E-01 -10.60 SCALE [14] S/ESD 52 52 -0.033 0.0E+00 0.22 E-01 -1.4 C 5 U[33] [14] S/ESD 54 54 -0.013 0.0E+00 0.12 E-01 -1.1 C 5 U[13] @@ -430,12 +430,12 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.028 0.044 +[31] 0.044 0.028 0.044 [70] Maximum 0. 0.00 0.00 0.01 0.01 0.01 0.13 0.05 0.11 0.08 0.03 0.10 -[31] 0.189 0.127 0.136 +[31] 0.189 0.128 0.137 [03] Reversals @@ -480,167 +480,167 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.01 0.01 -[31] 0.030 0.031 0.025 +[31] 0.030 0.031 0.025 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.028 0.039 +[31] 0.033 0.028 0.040 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.029 0.033 +[31] 0.035 0.029 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 -[31] 0.028 0.040 0.043 +[31] 0.028 0.040 0.044 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.025 0.039 +[31] 0.033 0.026 0.040 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.03 -[31] 0.040 0.043 0.031 +[31] 0.041 0.044 0.032 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.036 0.025 0.049 +[31] 0.036 0.025 0.050 [37] C 13. 1.00 0.00 -0.16 -0.29 0.04 0.65 [37] 0.00 0.01 -0.01 0.00 0.13 0.05 0.00 -0.01 0.02 -0.10 [37] 0.00 0.00 0.00 0.00 0.10 0.08 0.03 0.04 0.05 0.08 -[31] 0.083 0.063 0.052 +[31] 0.083 0.064 0.052 [37] C 14. 1.00 0.00 -0.34 0.00 -0.11 0.12 [37] 0.00 0.00 0.00 -0.01 0.00 0.02 0.11 -0.08 0.03 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.07 0.06 0.04 0.03 -[31] 0.047 0.053 0.074 +[31] 0.048 0.053 0.075 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.13 [37] 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.040 0.027 0.049 +[31] 0.040 0.028 0.050 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.024 +[31] 0.028 0.022 0.025 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.021 +[31] 0.022 0.017 0.021 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.016 0.022 +[31] 0.022 0.017 0.022 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.017 0.021 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.022 0.018 0.025 +[31] 0.022 0.018 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -[31] 0.023 0.018 0.027 +[31] 0.023 0.018 0.027 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.017 0.023 +[31] 0.022 0.017 0.024 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.016 0.020 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.016 0.021 +[31] 0.021 0.017 0.021 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.025 0.022 0.025 +[31] 0.025 0.023 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.025 0.023 0.024 +[31] 0.026 0.024 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.026 0.031 +[31] 0.028 0.026 0.032 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.028 0.024 0.032 +[31] 0.028 0.024 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.024 0.033 +[31] 0.033 0.025 0.034 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.023 0.028 +[31] 0.030 0.023 0.029 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.027 0.019 0.032 +[31] 0.028 0.020 0.032 [37] C 122. 1.00 0.00 0.26 0.31 -0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.024 0.018 0.026 +[31] 0.025 0.019 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.024 0.029 +[31] 0.030 0.024 0.030 [37] C 124. 1.00 0.00 0.54 -0.54 0.58 0.14 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.03 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.023 0.036 +[31] 0.033 0.023 0.036 [37] O 109. 1.00 0.00 0.50 -0.41 0.58 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.014 0.019 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.014 +[31] 0.016 0.012 0.015 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.019 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.043 0.091 0.464 0.199 0.122 0.977 Might be split @@ -728,8 +728,8 @@ LS-scale= 6.236 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.30E-04 +[80a] Block No 1. Single precision relative error: 8E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8E-04 S/ESD 1 1 0.022 -0.1E+00 0.160E-01 1.36 SCALE [14a] LARGE 77 77 0.060 0.4E+00 0.10 E+00 0.5 C 13 U[11] [14] S/ESD 230 230 0.011 -0.5E+00 0.97 E-02 1.1 C 120 U[11] @@ -776,12 +776,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.011 0.009 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.06 0.03 0.02 0.01 0.01 0.04 -[31] 0.053 0.032 0.055 +[31] 0.053 0.032 0.055 [03] Reversals @@ -826,167 +826,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.028 0.021 +[31] 0.028 0.028 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.027 0.039 +[31] 0.033 0.027 0.039 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.030 0.033 +[31] 0.036 0.030 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 -[31] 0.026 0.038 0.038 +[31] 0.026 0.038 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.022 0.031 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.029 +[31] 0.038 0.042 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.023 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.71 [37] 0.00 0.00 0.00 0.00 0.06 0.03 0.00 0.00 0.00 -0.04 [37] 0.00 0.00 0.00 0.00 0.10 0.07 0.02 0.03 0.04 0.08 -[31] 0.084 0.061 0.047 +[31] 0.084 0.061 0.047 [37] C 14. 1.00 0.00 -0.34 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.08 0.06 0.04 0.03 -[31] 0.043 0.050 0.074 +[31] 0.043 0.051 0.074 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.046 +[31] 0.038 0.026 0.046 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.020 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.019 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.023 0.029 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.030 +[31] 0.027 0.022 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.031 +[31] 0.032 0.022 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.027 0.018 0.031 +[31] 0.027 0.019 0.031 [37] C 122. 1.00 0.00 0.26 0.31 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.017 0.026 +[31] 0.023 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.020 0.027 +[31] 0.028 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.15 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.033 0.020 0.037 +[31] 0.034 0.020 0.037 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.094 0.446 0.197 0.128 0.835 Might be split @@ -1074,8 +1074,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.06E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9.06E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1119,12 +1119,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.005 +[31] 0.005 0.003 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 -[31] 0.019 0.013 0.016 +[31] 0.020 0.013 0.017 [03] Reversals @@ -1169,167 +1169,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.028 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.028 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.038 0.039 +[31] 0.025 0.038 0.040 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.023 0.033 +[31] 0.030 0.024 0.034 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.042 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.047 +[31] 0.035 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.063 0.048 +[31] 0.088 0.064 0.048 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.04 0.03 -[31] 0.046 0.051 0.078 +[31] 0.046 0.051 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.026 0.047 +[31] 0.039 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.016 0.022 +[31] 0.021 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.026 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.022 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.022 0.032 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.021 0.026 +[31] 0.027 0.021 0.026 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.021 0.039 +[31] 0.035 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.049 0.095 0.447 0.197 0.128 0.859 Might be split @@ -1417,8 +1417,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.99E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.99E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1459,15 +1459,15 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.004 +[31] 0.002 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -[31] 0.006 0.005 0.018 +[31] 0.007 0.006 0.018 [03] Reversals @@ -1512,167 +1512,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.027 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.029 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.025 0.038 0.038 +[31] 0.025 0.039 0.039 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.023 0.032 +[31] 0.030 0.024 0.033 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.041 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.12 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.064 0.048 +[31] 0.089 0.064 0.049 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.046 0.052 0.080 +[31] 0.047 0.052 0.080 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.027 0.046 +[31] 0.040 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.025 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.022 0.024 +[31] 0.025 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.031 +[31] 0.028 0.022 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.021 0.031 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.021 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.036 0.021 0.041 +[31] 0.036 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.095 0.445 0.197 0.128 0.837 Might be split @@ -2418,8 +2418,8 @@ LS-scale= 6.259 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.90E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.90E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2459,12 +2459,12 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.005 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.00 -[31] 0.015 0.009 0.009 +[31] 0.016 0.009 0.009 [03] Reversals @@ -2509,167 +2509,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.025 0.034 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.037 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.031 +[31] 0.029 0.023 0.032 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.01 0.02 0.01 -[31] 0.033 0.022 0.046 +[31] 0.033 0.023 0.046 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.045 0.049 0.076 +[31] 0.046 0.050 0.077 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.038 0.026 0.044 +[31] 0.038 0.026 0.045 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.025 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.023 0.021 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.022 0.027 +[31] 0.025 0.023 0.027 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.026 0.021 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.030 +[31] 0.031 0.021 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.025 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.020 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.825 Might be split @@ -2757,8 +2757,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.76E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.76E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2799,15 +2799,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.011 +[31] 0.005 0.003 0.011 [03] Reversals @@ -2852,167 +2852,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.034 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.037 0.037 +[31] 0.024 0.037 0.037 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.030 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.046 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.020 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.833 Might be split @@ -3100,8 +3100,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.95E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.95E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3142,15 +3142,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.004 0.002 0.005 [03] Reversals @@ -3195,167 +3195,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.029 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.062 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.047 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split @@ -3443,8 +3443,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.77E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.77E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3481,15 +3481,15 @@ All cycle Rw 0.0 15. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.002 0.005 [03] Reversals @@ -3534,167 +3534,167 @@ All cycle Rw 0.0 15. 0.10E+03 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.037 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.046 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.10 0.06 0.05 0.03 -[31] 0.047 0.048 0.078 +[31] 0.047 0.049 0.079 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.021 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split diff --git a/test_suite/INW64GHGUI.org/sgd464.out b/test_suite/INW64GHGUI.org/sgd464.out index 0602ee601..1c7973de3 100644 --- a/test_suite/INW64GHGUI.org/sgd464.out +++ b/test_suite/INW64GHGUI.org/sgd464.out @@ -172,10 +172,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.7 0.0E+00 0.2 E+01 -0.3 ENANTIO [14] S/ESD 6 6 -0.018 0.0E+00 0.11 E-01 -1.7 CL 1 U[11] [14] S/ESD 24 24 0.021 0.0E+00 0.19 E-01 1.1 CL 3 U[11] @@ -218,15 +218,15 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [38] Mean -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.05 0.02 0.01 0.01 -[31] 0.010 0.016 0.015 +[31] 0.011 0.016 0.015 [03] Reversals @@ -271,147 +271,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.028 +[31] 0.030 0.030 0.028 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.099 0.096 0.090 +[31] 0.099 0.097 0.091 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.05 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.02 0.01 -[31] 0.040 0.040 0.052 +[31] 0.040 0.041 0.052 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.01 [37] 0.00 0.00 0.00 0.00 0.04 0.01 0.01 0.01 0.02 0.02 -[31] 0.049 0.044 0.035 +[31] 0.050 0.044 0.035 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.040 0.048 0.037 +[31] 0.040 0.049 0.038 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.061 0.054 +[31] 0.058 0.061 0.054 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.058 0.058 +[31] 0.060 0.059 0.059 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.043 0.044 +[31] 0.044 0.043 0.045 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.03 0.02 0.02 0.02 -[31] 0.068 0.061 0.064 +[31] 0.068 0.062 0.064 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.041 0.048 0.040 +[31] 0.042 0.049 0.040 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.060 0.061 0.061 +[31] 0.061 0.061 0.062 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.048 +[31] 0.049 0.053 0.049 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.062 0.055 +[31] 0.059 0.062 0.055 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.064 0.068 0.063 +[31] 0.065 0.069 0.063 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.045 0.045 0.045 +[31] 0.046 0.046 0.046 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.060 0.067 0.062 +[31] 0.061 0.067 0.063 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.061 0.066 0.060 +[31] 0.061 0.067 0.061 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.03 0.02 0.03 -[31] 0.066 0.075 0.068 +[31] 0.066 0.076 0.068 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.081 0.086 0.075 +[31] 0.082 0.086 0.075 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.078 0.086 0.073 +[31] 0.078 0.087 0.074 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.081 0.079 0.088 +[31] 0.082 0.079 0.088 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.065 0.069 0.070 +[31] 0.066 0.069 0.070 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.08 0.03 0.04 0.02 0.04 -[31] 0.076 0.110 0.069 +[31] 0.076 0.111 0.069 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.02 0.03 0.02 0.03 -[31] 0.067 0.081 0.061 +[31] 0.068 0.081 0.062 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.03 0.03 0.02 0.03 -[31] 0.068 0.076 0.074 +[31] 0.069 0.076 0.074 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.05 0.04 0.04 0.03 0.04 -[31] 0.073 0.098 0.078 +[31] 0.073 0.099 0.079 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.02 0.03 -[31] 0.077 0.093 0.066 +[31] 0.077 0.094 0.067 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.03 0.03 0.03 0.04 -[31] 0.089 0.087 0.074 +[31] 0.090 0.088 0.075 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.04 -[31] 0.077 0.091 0.071 +[31] 0.077 0.092 0.072 [84] Mean C-C su = 0.07 #CYCLENDS #SFLS @@ -495,10 +495,10 @@ LS-scale= 0.437 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+00 0.2 E+00 0.3 ENANTIO [14] S/ESD 24 24 0.010 0.5E+00 0.23 E-02 4.2 CL 3 U[11] [14] S/ESD 26 26 0.011 -0.2E+00 0.32 E-02 3.4 CL 3 U[33] @@ -538,15 +538,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.008 [03] Reversals @@ -591,147 +591,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -815,10 +815,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.6E+00 0.2 E+00 -0.2 ENANTIO for 263 parameters @@ -856,15 +856,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -909,147 +909,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1133,10 +1133,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -1177,12 +1177,12 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1227,147 +1227,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1451,10 +1451,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.94E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.94E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -1492,15 +1492,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1545,147 +1545,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -1703,16 +1703,16 @@ ___________ Atom CL(1), basis: CL(1),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.0 Uc[2,3]==0 Atom CL(3), basis: CL(3),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom CL(4), basis: CL(4),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -1872,8 +1872,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.81E-04 +[80a] Block No 1. Single precision relative error: 10E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 10E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+00 -0.2 ENANTIO [14] S/ESD 168 168 -0.011 0.0E+00 0.89 E-02 -1.2 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.75 E-02 1.8 C 19 U[33] @@ -1918,12 +1918,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.011 0.013 0.015 +[31] 0.011 0.013 0.016 [03] Reversals @@ -1968,147 +1968,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.021 0.020 0.019 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.010 +[31] 0.008 0.008 0.011 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.007 +[31] 0.010 0.009 0.007 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.013 +[31] 0.014 0.013 0.013 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.014 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.018 0.016 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.018 0.015 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.018 +[31] 0.017 0.016 0.018 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.022 0.014 +[31] 0.016 0.023 0.014 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.014 0.017 0.013 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.016 +[31] 0.015 0.020 0.016 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.019 0.014 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.015 +[31] 0.018 0.018 0.015 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.014 +[31] 0.016 0.019 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2192,10 +2192,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.15E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2.15E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -2233,15 +2233,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -2286,147 +2286,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2510,8 +2510,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.05E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.05E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 0.4E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -2552,12 +2552,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2602,147 +2602,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2826,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.07E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 -0.0 -0.5E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -2865,15 +2865,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2918,147 +2918,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3142,8 +3142,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.14E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.14E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 -0.2E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -3184,12 +3184,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.004 +[31] 0.002 0.004 0.004 [03] Reversals @@ -3234,147 +3234,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -3392,12 +3392,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -3557,10 +3557,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.73E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.23E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.23E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.11 E-01 1.1 C 19 U[33] [14] S/ESD 213 213 0.015 0.0E+00 0.80 E-02 1.8 C 24 U[11] @@ -3604,12 +3604,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.015 +[31] 0.011 0.014 0.015 [03] Reversals @@ -3654,147 +3654,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.029 +[31] 0.032 0.031 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.014 0.011 +[31] 0.016 0.015 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.019 0.019 0.019 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.020 +[31] 0.022 0.020 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.013 +[31] 0.013 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.015 +[31] 0.016 0.017 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.020 +[31] 0.020 0.022 0.020 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.019 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.025 0.022 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.028 0.024 +[31] 0.026 0.028 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.028 0.024 +[31] 0.025 0.028 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.025 0.028 +[31] 0.027 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.022 +[31] 0.021 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.024 0.036 0.022 +[31] 0.025 0.036 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.022 0.026 0.020 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.024 0.024 +[31] 0.022 0.025 0.024 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.025 +[31] 0.024 0.032 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.025 0.030 0.021 +[31] 0.025 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.028 0.024 +[31] 0.029 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.023 +[31] 0.025 0.030 0.023 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -3878,10 +3878,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.83E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.41E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.41E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -3922,12 +3922,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -3972,147 +3972,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4196,10 +4196,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.38E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.38E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.5E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4237,15 +4237,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.005 +[31] 0.003 0.003 0.005 [03] Reversals @@ -4290,147 +4290,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4514,10 +4514,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.90E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.55E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.55E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -4555,15 +4555,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -4608,147 +4608,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4832,10 +4832,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.82E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.39E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.39E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4876,12 +4876,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -4926,147 +4926,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -5084,12 +5084,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.0 Uc[2,3]=0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.0 Uc[2,3]=0 ___________ (1) NO ___________ @@ -5271,10 +5271,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.59E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.96E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.96E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 234 234 -0.022 0.0E+00 0.42 E-02 -5.2 C 26 U[23] [14] S/ESD 252 252 0.013 0.0E+00 0.38 E-02 3.4 C 28 U[23] @@ -5318,12 +5318,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.02 0.00 0.01 -[31] 0.009 0.013 0.015 +[31] 0.010 0.013 0.016 [03] Reversals @@ -5368,147 +5368,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.071 0.069 0.065 +[31] 0.072 0.070 0.066 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.03 0.01 0.01 0.01 -[31] 0.028 0.029 0.037 +[31] 0.029 0.029 0.038 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.02 -[31] 0.035 0.032 0.025 +[31] 0.036 0.032 0.025 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.035 0.027 +[31] 0.029 0.035 0.027 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.044 0.039 +[31] 0.042 0.044 0.039 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.042 0.042 +[31] 0.043 0.042 0.042 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.031 0.032 +[31] 0.032 0.031 0.032 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.049 0.044 0.046 +[31] 0.049 0.044 0.046 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.035 0.029 +[31] 0.030 0.035 0.029 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.044 0.044 +[31] 0.044 0.044 0.045 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.038 0.035 +[31] 0.035 0.038 0.035 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.045 0.039 +[31] 0.043 0.045 0.040 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.046 0.049 0.045 +[31] 0.047 0.050 0.046 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.033 +[31] 0.033 0.033 0.033 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.048 0.045 +[31] 0.044 0.048 0.045 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.044 0.048 0.043 +[31] 0.044 0.048 0.044 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.054 0.049 +[31] 0.048 0.055 0.049 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.062 0.054 +[31] 0.059 0.062 0.055 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.056 0.062 0.053 +[31] 0.057 0.063 0.053 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.057 0.063 +[31] 0.059 0.057 0.064 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.047 0.050 0.050 +[31] 0.048 0.050 0.051 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.03 -[31] 0.055 0.080 0.049 +[31] 0.055 0.080 0.050 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.00 0.00 -[31] 0.048 0.058 0.044 +[31] 0.049 0.059 0.045 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.049 0.054 0.053 +[31] 0.050 0.055 0.054 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.052 0.071 0.056 +[31] 0.053 0.071 0.057 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.01 0.00 -[31] 0.055 0.067 0.048 +[31] 0.056 0.068 0.048 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.00 0.01 0.00 -[31] 0.064 0.063 0.054 +[31] 0.065 0.063 0.054 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.055 0.066 0.052 +[31] 0.056 0.066 0.052 [84] Mean C-C su = 0.05 #CYCLENDS #SFLS @@ -5592,10 +5592,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.48E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.75E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.75E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.2 ENANTIO for 263 parameters @@ -5636,12 +5636,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.006 +[31] 0.006 0.005 0.007 [03] Reversals @@ -5686,147 +5686,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5910,10 +5910,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.56E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.92E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.92E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -5951,15 +5951,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -6004,147 +6004,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6228,10 +6228,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.54E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.86E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.86E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6272,12 +6272,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -6322,147 +6322,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.008 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6546,10 +6546,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.27E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.27E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.8E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6587,15 +6587,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -6640,147 +6640,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.009 +[31] 0.010 0.014 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -6798,34 +6798,34 @@ ___________ Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.0 Ul_13 = 0.0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-07 0E+00 3E-07 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 3E-07 0E+00 3E-07 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.0 Ul_13 = 0.0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-06 0E+00 7E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 7E-06 0E+00 7E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_13 = 0.0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.0 Ul_13 = 0.0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_13 = 0.0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.0 Ul_13 = 0.0 ___________ (1) NO ___________ @@ -6987,8 +6987,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3.35E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.2 E+00 -0.4 ENANTIO [14] S/ESD 168 168 -0.010 0.0E+00 0.53 E-02 -2.0 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.45 E-02 2.9 C 19 U[33] @@ -7034,12 +7034,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.016 +[31] 0.010 0.013 0.017 [03] Reversals @@ -7084,147 +7084,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7308,8 +7308,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -7347,15 +7347,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.004 0.006 [03] Reversals @@ -7400,147 +7400,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7624,8 +7624,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4.40E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -7663,15 +7663,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -7716,147 +7716,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7940,8 +7940,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.3E+01 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -7979,15 +7979,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -8032,147 +8032,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8256,8 +8256,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -8298,12 +8298,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8348,147 +8348,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -8506,14 +8506,14 @@ ___________ Atom C(7), basis: C(7),C(9) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 Atom C(9), basis: C(9),C(11) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 ___________ (1) NO ___________ @@ -8690,8 +8690,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.85E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.85E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 213 213 0.021 0.0E+00 0.64 E-03 32.9 C 24 U[11] [14] S/ESD 232 232 -0.022 0.0E+00 0.65 E-03 -34.8 C 26 U[22] @@ -8735,12 +8735,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.00 0.01 -[31] 0.012 0.016 0.015 +[31] 0.012 0.016 0.015 [03] Reversals @@ -8785,147 +8785,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.019 0.018 +[31] 0.019 0.020 0.018 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.03 -[31] 0.064 0.062 0.058 +[31] 0.064 0.062 0.059 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.025 0.026 0.033 +[31] 0.026 0.026 0.034 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.031 0.028 0.022 +[31] 0.032 0.029 0.023 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.031 0.024 +[31] 0.026 0.032 0.024 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.037 0.039 0.034 +[31] 0.038 0.040 0.035 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.037 0.037 +[31] 0.038 0.038 0.038 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.027 0.028 +[31] 0.028 0.028 0.029 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.039 0.041 +[31] 0.044 0.040 0.041 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.031 0.026 +[31] 0.027 0.031 0.026 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.039 0.039 0.039 +[31] 0.039 0.039 0.040 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.034 0.031 +[31] 0.032 0.034 0.032 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.040 0.035 +[31] 0.038 0.040 0.036 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.041 0.044 0.040 +[31] 0.042 0.044 0.041 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.030 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.040 +[31] 0.039 0.043 0.041 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.039 +[31] 0.039 0.043 0.039 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.048 0.044 +[31] 0.043 0.049 0.044 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.052 0.055 0.048 +[31] 0.052 0.056 0.049 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.050 0.055 0.047 +[31] 0.051 0.056 0.048 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.052 0.051 0.056 +[31] 0.053 0.051 0.057 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.044 0.045 +[31] 0.043 0.045 0.045 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.02 -[31] 0.049 0.071 0.044 +[31] 0.049 0.071 0.044 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.043 0.052 0.039 +[31] 0.044 0.052 0.040 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.044 0.048 0.047 +[31] 0.044 0.049 0.048 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.047 0.063 0.050 +[31] 0.047 0.063 0.051 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.060 0.043 +[31] 0.050 0.060 0.043 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.057 0.056 0.048 +[31] 0.058 0.057 0.048 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.059 0.046 +[31] 0.050 0.059 0.046 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -9009,8 +9009,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9051,12 +9051,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.006 [03] Reversals @@ -9101,147 +9101,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9325,8 +9325,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 0.6E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9364,15 +9364,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [03] Reversals @@ -9417,147 +9417,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9641,8 +9641,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.2E+02 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -9680,15 +9680,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.003 [03] Reversals @@ -9733,147 +9733,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9957,8 +9957,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.81E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.81E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -9996,15 +9996,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -10049,147 +10049,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -10208,28 +10208,28 @@ CONT C(26) TO C(27) TO C(28) Atom C(24), basis: C(24),C(25),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.0 U13_local - == 0 Atom C(25), basis: C(25),C(26),C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.0 U13_local - == 0 Atom C(26), basis: C(26),C(27),C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.0 U13_local - == 0 ___________ (1) NO ___________ @@ -10397,10 +10397,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.98E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.69E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.69E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 9 9 -0.012 0.0E+00 0.49 E-02 -2.5 CL 1 U[23] @@ -10442,12 +10442,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.011 0.012 0.018 +[31] 0.011 0.012 0.018 [03] Reversals @@ -10492,147 +10492,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.024 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.045 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -10716,10 +10716,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.4E+00 0.3 E+00 0.1 ENANTIO for 263 parameters @@ -10760,12 +10760,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -10810,147 +10810,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.017 0.017 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.007 0.007 0.009 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.006 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.007 0.009 0.007 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.012 0.011 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.013 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.013 0.016 0.014 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.013 0.013 0.015 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.012 +[31] 0.013 0.020 0.012 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.011 +[31] 0.012 0.014 0.011 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.012 0.013 0.013 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.013 +[31] 0.013 0.018 0.013 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.012 +[31] 0.014 0.016 0.012 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.012 +[31] 0.015 0.016 0.013 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.017 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11034,10 +11034,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.20E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.20E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.1E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -11078,12 +11078,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -11128,147 +11128,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.013 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.007 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.007 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.016 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.013 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11352,10 +11352,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.44E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.68E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.68E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.9E+01 0.6 E+00 0.0 ENANTIO [14] S/ESD 11 11 -0.012 -0.9E+01 0.41 E-02 -2.8 CL 1 U[12] @@ -11397,12 +11397,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.004 0.006 0.002 +[31] 0.005 0.006 0.003 [03] Reversals @@ -11447,147 +11447,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.031 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.012 0.012 0.016 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.015 0.014 0.011 +[31] 0.015 0.014 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.017 +[31] 0.019 0.020 0.017 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.020 0.020 0.018 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.020 0.020 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.017 0.015 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.021 0.021 0.019 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.021 0.020 +[31] 0.021 0.021 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.019 0.020 0.019 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.028 0.026 +[31] 0.024 0.029 0.026 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.026 0.023 +[31] 0.026 0.027 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.025 0.026 +[31] 0.025 0.025 0.026 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.023 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.023 0.036 0.022 +[31] 0.024 0.037 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.023 0.024 +[31] 0.023 0.024 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.024 +[31] 0.024 0.032 0.024 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.026 0.029 0.021 +[31] 0.026 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.029 0.023 +[31] 0.028 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -11671,10 +11671,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.74E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.4E+01 0.7 E+00 -0.0 ENANTIO for 263 parameters @@ -11712,15 +11712,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.004 [03] Reversals @@ -11765,147 +11765,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.035 0.033 0.032 +[31] 0.035 0.034 0.033 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.014 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.012 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.013 +[31] 0.014 0.017 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.020 0.021 0.019 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.020 +[31] 0.022 0.021 0.020 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.016 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.021 +[31] 0.023 0.022 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.015 0.017 0.014 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.022 +[31] 0.022 0.022 0.022 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.017 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.022 0.023 0.020 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.022 +[31] 0.022 0.022 0.022 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.022 0.024 0.022 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.023 0.026 0.024 +[31] 0.023 0.027 0.025 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.027 +[31] 0.026 0.031 0.028 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.024 +[31] 0.028 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.027 0.027 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.023 0.025 +[31] 0.024 0.024 0.025 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.03 0.01 0.01 0.00 0.01 -[31] 0.026 0.039 0.024 +[31] 0.026 0.040 0.024 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.028 0.022 +[31] 0.024 0.029 0.022 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.026 +[31] 0.025 0.025 0.026 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.025 0.034 0.026 +[31] 0.025 0.035 0.027 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.031 0.023 +[31] 0.028 0.032 0.024 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.031 0.026 +[31] 0.030 0.032 0.026 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.033 0.026 +[31] 0.028 0.033 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SET MONITOR ON @@ -11929,14 +11929,14 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 ___________ (1) NO ___________ @@ -12110,8 +12110,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.13E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.13E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+01 -0.0 ENANTIO [14] S/ESD 6 6 -0.014 0.0E+00 0.22 E-02 -6.4 CL 1 U[11] [14] S/ESD 9 9 -0.026 0.0E+00 0.13 E-02 -19.7 CL 1 U[23] @@ -12160,12 +12160,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.04 0.06 0.02 0.04 0.01 -[31] 0.013 0.018 0.021 +[31] 0.014 0.018 0.022 [03] Reversals @@ -12210,147 +12210,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.063 0.058 +[31] 0.062 0.064 0.059 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.12 0.12 0.10 0.09 0.09 0.10 -[31] 0.207 0.201 0.190 +[31] 0.207 0.202 0.190 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.03 0.04 -0.06 -0.02 0.04 0.00 [37] 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.085 0.109 +[31] 0.084 0.085 0.110 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.08 0.06 0.04 0.04 0.05 0.06 -[31] 0.103 0.093 0.073 +[31] 0.104 0.093 0.074 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.03 0.04 -[31] 0.084 0.102 0.079 +[31] 0.084 0.102 0.079 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.122 0.128 0.113 +[31] 0.122 0.129 0.113 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.124 0.123 0.122 +[31] 0.125 0.123 0.123 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.092 0.090 0.093 +[31] 0.092 0.090 0.094 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.07 0.05 0.06 0.04 0.05 0.05 -[31] 0.142 0.129 0.134 +[31] 0.143 0.129 0.134 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.04 0.03 0.04 -[31] 0.087 0.102 0.084 +[31] 0.087 0.102 0.085 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.04 0.05 0.04 -[31] 0.127 0.128 0.129 +[31] 0.127 0.128 0.130 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.03 0.04 -[31] 0.102 0.110 0.102 +[31] 0.103 0.111 0.102 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.123 0.130 0.115 +[31] 0.123 0.131 0.115 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.135 0.144 0.132 +[31] 0.136 0.144 0.132 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.05 0.04 0.04 0.04 -[31] 0.096 0.095 0.096 +[31] 0.096 0.096 0.096 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.127 0.140 0.131 +[31] 0.127 0.140 0.132 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.05 0.04 0.05 -[31] 0.127 0.140 0.127 +[31] 0.128 0.140 0.127 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.07 0.06 0.05 0.06 -[31] 0.138 0.158 0.143 +[31] 0.139 0.158 0.143 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.09 0.09 0.07 0.07 0.06 0.07 -[31] 0.170 0.181 0.158 +[31] 0.171 0.181 0.158 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.07 -[31] 0.164 0.181 0.154 +[31] 0.164 0.181 0.155 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.09 0.10 0.07 0.07 0.07 -[31] 0.171 0.166 0.184 +[31] 0.172 0.166 0.184 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.07 0.06 0.05 0.05 -[31] 0.138 0.145 0.146 +[31] 0.138 0.145 0.147 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.01 0.02 0.01 0.08 0.17 0.06 0.08 0.05 0.09 -[31] 0.159 0.232 0.144 +[31] 0.160 0.232 0.145 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.10 0.06 0.06 0.05 0.06 -[31] 0.141 0.169 0.129 +[31] 0.142 0.170 0.130 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.08 0.07 0.06 0.06 -[31] 0.144 0.159 0.155 +[31] 0.144 0.159 0.156 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.11 0.09 0.09 0.06 0.08 -[31] 0.153 0.206 0.165 +[31] 0.154 0.207 0.165 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.11 0.06 0.07 0.05 0.08 -[31] 0.161 0.196 0.140 +[31] 0.162 0.196 0.140 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.10 0.09 0.07 0.07 0.07 0.08 -[31] 0.187 0.183 0.156 +[31] 0.188 0.184 0.157 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.08 -[31] 0.161 0.191 0.150 +[31] 0.162 0.192 0.151 [84] Mean C-C su = 0.15 #CYCLENDS #SFLS @@ -12434,8 +12434,8 @@ LS-scale= 0.447 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -12476,12 +12476,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.010 0.007 0.006 [03] Reversals @@ -12526,147 +12526,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.014 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12750,8 +12750,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -12792,12 +12792,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -12842,147 +12842,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13066,8 +13066,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.8E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -13105,15 +13105,15 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -13158,147 +13158,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13382,8 +13382,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -13424,12 +13424,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.001 0.004 [03] Reversals @@ -13474,147 +13474,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -13638,20 +13638,20 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 ___________ (1) NO ___________ @@ -13809,8 +13809,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.06E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.06E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.014 0.0E+00 0.84 E-02 1.7 CL 1 U[11] [14] S/ESD 7 7 0.019 0.0E+00 0.69 E-02 2.8 CL 1 U[22] @@ -13856,12 +13856,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.013 0.017 0.019 +[31] 0.014 0.017 0.020 [03] Reversals @@ -13906,147 +13906,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.025 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.046 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -14130,8 +14130,8 @@ LS-scale= 0.444 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.1E+01 0.2 E+00 0.6 ENANTIO for 263 parameters @@ -14172,12 +14172,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.010 0.006 [03] Reversals @@ -14222,147 +14222,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14446,8 +14446,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.80E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.1E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -14485,15 +14485,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -14538,147 +14538,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14762,8 +14762,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.73E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.73E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -14801,15 +14801,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -14854,147 +14854,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.013 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15078,8 +15078,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -15120,12 +15120,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -15170,147 +15170,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -15328,10 +15328,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 1.0 U_geom = _geom Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 1E-04 1.0 U_geom = _geom ___________ (1) NO ___________ @@ -15489,8 +15489,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.07E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 S/ESD 1 1 0.012 0.0E+00 0.691E-02 1.73 SCALE [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.024 0.0E+00 0.95 E-02 2.5 CL 1 U[11] @@ -15538,12 +15538,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.04 0.01 0.01 0.01 -[31] 0.014 0.018 0.018 +[31] 0.014 0.019 0.019 [03] Reversals @@ -15588,147 +15588,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.018 0.018 0.017 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.058 0.054 +[31] 0.060 0.058 0.055 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 -0.04 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.031 +[31] 0.024 0.025 0.032 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.026 0.021 +[31] 0.030 0.027 0.021 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.029 0.022 +[31] 0.024 0.029 0.023 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.032 +[31] 0.035 0.037 0.033 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.035 0.035 +[31] 0.036 0.035 0.035 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.026 0.027 +[31] 0.026 0.026 0.027 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.041 0.037 0.038 +[31] 0.041 0.037 0.039 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.024 +[31] 0.025 0.029 0.024 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.036 0.037 +[31] 0.037 0.037 0.037 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.029 +[31] 0.029 0.032 0.029 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.033 +[31] 0.035 0.037 0.033 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.041 0.038 +[31] 0.039 0.041 0.038 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.027 0.027 +[31] 0.028 0.028 0.028 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.037 +[31] 0.036 0.040 0.038 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.036 +[31] 0.037 0.040 0.036 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.045 0.041 +[31] 0.040 0.046 0.041 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.045 +[31] 0.049 0.052 0.045 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.052 0.044 +[31] 0.047 0.052 0.044 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.047 0.053 +[31] 0.049 0.048 0.053 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.041 0.042 +[31] 0.040 0.042 0.042 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.045 0.066 0.041 +[31] 0.046 0.067 0.042 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.048 0.037 +[31] 0.041 0.049 0.037 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.041 0.045 0.044 +[31] 0.042 0.046 0.045 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.044 0.059 0.047 +[31] 0.044 0.059 0.048 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.02 0.01 0.02 -[31] 0.046 0.056 0.040 +[31] 0.046 0.056 0.040 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.02 0.02 0.02 -[31] 0.054 0.052 0.045 +[31] 0.054 0.053 0.045 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.046 0.055 0.043 +[31] 0.046 0.055 0.043 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -15812,8 +15812,8 @@ LS-scale= 0.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.77E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.77E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.7E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -15854,12 +15854,12 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.005 +[31] 0.007 0.008 0.005 [03] Reversals @@ -15904,147 +15904,147 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16128,8 +16128,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -16167,15 +16167,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -16220,147 +16220,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16444,8 +16444,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16483,15 +16483,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16536,147 +16536,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16760,8 +16760,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16802,12 +16802,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16852,147 +16852,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -17010,10 +17010,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 1.0 U_eq = _eq Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 1E-04 1.0 U_eq = _eq ___________ (1) NO ___________ @@ -17218,8 +17218,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.12 E-01 1.0 C 19 U[33] @@ -17261,12 +17261,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.009 0.012 0.017 +[31] 0.010 0.013 0.017 [03] Reversals @@ -17311,147 +17311,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.030 +[31] 0.033 0.032 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.011 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.013 0.016 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.020 0.020 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.015 0.015 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.021 +[31] 0.023 0.021 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.023 0.021 +[31] 0.022 0.023 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.022 0.025 0.022 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.027 0.029 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.029 0.024 +[31] 0.026 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.028 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.023 0.023 +[31] 0.022 0.023 0.024 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.025 0.037 0.023 +[31] 0.025 0.037 0.023 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.024 +[31] 0.023 0.025 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.032 0.026 +[31] 0.025 0.033 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.031 0.022 +[31] 0.026 0.031 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.025 +[31] 0.030 0.029 0.025 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -17535,8 +17535,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -17574,15 +17574,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.005 0.004 0.005 [03] Reversals @@ -17627,147 +17627,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17851,8 +17851,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.4E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -17893,12 +17893,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.002 0.002 0.004 [03] Reversals @@ -17943,147 +17943,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18167,8 +18167,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18206,15 +18206,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [03] Reversals @@ -18259,147 +18259,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18483,8 +18483,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -18525,12 +18525,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.001 0.003 [03] Reversals @@ -18575,147 +18575,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18799,8 +18799,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18838,15 +18838,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -18891,147 +18891,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19115,8 +19115,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19157,12 +19157,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -19207,147 +19207,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19431,8 +19431,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -19470,15 +19470,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19523,147 +19523,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19747,8 +19747,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19789,12 +19789,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19839,147 +19839,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20063,8 +20063,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.2E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -20102,15 +20102,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -20155,147 +20155,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -20318,52 +20318,52 @@ T tensor: Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.0 U13 - Utls13 == 0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.0 U13 - Utls13 == 0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.0 U13 - Utls13 == 0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.0 U13 - Utls13 == 0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.0 U13 - Utls13 == 0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.0 U13 - Utls13 == 0 ___________ (1) NO ___________ diff --git a/test_suite/INW64GHGUI.org/shapering.out b/test_suite/INW64GHGUI.org/shapering.out index 5ca536fbe..46d87f4dc 100644 --- a/test_suite/INW64GHGUI.org/shapering.out +++ b/test_suite/INW64GHGUI.org/shapering.out @@ -222,8 +222,8 @@ LS-scale= 6.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.066 0.0E+00 0.124E-01 5.32 SCALE [14] S/ESD 29 29 0.011 0.0E+00 0.78 E-02 1.4 C 13 Z @@ -265,12 +265,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.021 0.052 +[31] 0.038 0.022 0.052 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.076 0.043 0.102 +[31] 0.077 0.043 0.102 [03] Reversals @@ -315,62 +315,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.046 0.037 0.046 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.045 0.037 0.045 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.45 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.068 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 15. 0.42 1.00 -0.27 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0680 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -459,8 +459,8 @@ LS-scale= 6.358 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.08E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.08E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -501,15 +501,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.014 +[31] 0.019 0.019 0.015 [03] Reversals @@ -554,62 +554,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0548 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0016 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -698,8 +698,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.02E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -743,12 +743,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.008 [03] Reversals @@ -793,62 +793,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -937,8 +937,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.00E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.00E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -995,15 +995,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.005 0.002 +[31] 0.003 0.005 0.002 [03] Reversals @@ -1048,62 +1048,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1213,10 +1213,10 @@ LS-scale= 5.759 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.49E-12 -[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2.49E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2E-12 [13] LARGE 1 1 0.6 0.0E+00 0.1 E-01 32.5 SCALE [14] S/ESD 2 2 0.409 0.0E+00 0.60 E-01 6.7 C 1 OCC Composite @@ -1402,15 +1402,15 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [38] Mean 0.61 0.31 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.027 0.025 +[31] 0.032 0.028 0.026 [71] R.M.S. 0. 0.33 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.227 0.146 0.133 +[31] 0.227 0.147 0.134 [70] Maximum 0. 0.40 0.04 0.03 0.02 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.410 0.262 0.295 +[31] 0.410 0.262 0.295 [03] Reversals @@ -1455,62 +1455,62 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [37] C 1. 0.93 1.00 -0.13 -0.10 -0.29 0.10 [73] 0.40 -0.01 0.00 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 2. 0.93 1.00 -0.11 -0.20 -0.18 0.10 [73] 0.40 -0.00 0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.074 [37] C 3. 0.93 1.00 -0.19 -0.20 -0.10 0.10 [73] 0.40 -0.02 -0.02 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.075 +[31] 0.074 0.057 0.076 [37] C 4. 0.93 1.00 -0.26 -0.05 -0.17 0.10 [73] 0.40 -0.01 0.00 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.072 0.059 0.073 +[31] 0.072 0.059 0.074 [37] C 5. 0.93 1.00 -0.21 -0.01 -0.28 0.10 [73] 0.40 0.01 -0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.074 0.059 0.072 [37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 [73] 0.22 0.03 0.00 -0.01 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.199 0.161 0.200 +[31] 0.199 0.162 0.200 [37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 [73] 0.22 0.01 0.01 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.196 0.160 0.191 +[31] 0.196 0.160 0.192 [37] C 13. 0.54 1.00 -0.18 -0.26 0.04 0.11 [73] 0.22 -0.00 0.02 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.202 0.162 0.196 +[31] 0.202 0.162 0.197 [37] C 14. 0.54 1.00 -0.34 0.00 -0.09 0.11 [73] 0.22 -0.02 -0.01 -0.03 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.204 0.159 0.203 +[31] 0.205 0.160 0.203 [37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 [73] 0.22 0.03 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.201 0.158 0.199 +[31] 0.201 0.158 0.200 [37] C 100. 0.30 4.00 -0.15 -0.09 -0.18 0.05 -2.0452 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.30 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [37] C 200. 2.26 4.00 -0.15 -0.09 -0.19 0.06 -1.1286 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.23 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [84] Mean C-C su = 0.10 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1599,8 +1599,8 @@ LS-scale= 6.368 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.69E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.69E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.155 -0.4E+00 0.46 E-01 -3.3 C 1 OCC Composite @@ -1783,15 +1783,15 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [38] Mean 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.020 0.019 +[31] 0.024 0.020 0.019 [71] R.M.S. 0. 0.14 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.080 0.113 +[31] 0.084 0.080 0.114 [70] Maximum 0. 0.15 0.03 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.180 0.151 0.261 +[31] 0.181 0.151 0.261 [03] Reversals @@ -1836,62 +1836,62 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 0.78 1.00 -0.13 -0.10 -0.31 0.07 [73] -0.15 0.00 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 2. 0.78 1.00 -0.11 -0.21 -0.19 0.07 [73] -0.15 -0.00 -0.01 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.032 0.042 +[31] 0.044 0.033 0.043 [37] C 3. 0.78 1.00 -0.17 -0.18 -0.09 0.07 [73] -0.15 0.01 0.01 0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 4. 0.78 1.00 -0.25 -0.05 -0.17 0.07 [73] -0.15 0.00 -0.00 -0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.78 1.00 -0.22 0.00 -0.29 0.07 [73] -0.15 -0.01 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.034 0.041 +[31] 0.041 0.035 0.041 [37] C 11. 0.41 1.00 -0.07 -0.05 -0.44 0.10 [73] -0.13 0.00 0.00 0.02 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.070 0.056 0.069 [37] C 12. 0.41 1.00 0.00 -0.31 -0.14 0.10 [73] -0.13 0.00 -0.00 0.01 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.069 +[31] 0.071 0.058 0.070 [37] C 13. 0.41 1.00 -0.18 -0.25 0.04 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 14. 0.41 1.00 -0.33 0.00 -0.08 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.073 0.057 0.071 [37] C 15. 0.41 1.00 -0.24 0.15 -0.36 0.10 [73] -0.13 -0.00 0.01 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 100. 1.08 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.77 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.23 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.91 4.00 -0.17 -0.10 -0.20 0.05 [22] 0.65 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.15 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1980,8 +1980,8 @@ LS-scale= 6.366 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.97E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.97E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.226 0.1E+01 0.40 E-01 -5.5 C 1 OCC Composite @@ -2155,15 +2155,15 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [38] Mean 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.017 +[31] 0.021 0.018 0.017 [71] R.M.S. 0. 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.054 0.043 +[31] 0.072 0.054 0.044 [70] Maximum 0. 0.22 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.154 0.101 0.075 +[31] 0.155 0.102 0.075 [03] Reversals @@ -2208,62 +2208,62 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [37] C 1. 0.55 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.22 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 2. 0.55 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.22 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.033 +[31] 0.034 0.026 0.033 [37] C 3. 0.55 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.22 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.033 +[31] 0.033 0.026 0.033 [37] C 4. 0.55 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.22 0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 5. 0.55 1.00 -0.22 0.00 -0.29 0.06 [73] -0.22 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.03 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 [73] -0.03 0.00 0.01 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.076 +[31] 0.078 0.063 0.077 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.081 0.064 0.080 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.062 0.079 +[31] 0.080 0.063 0.079 [37] C 15. 0.38 1.00 -0.24 0.15 -0.36 0.09 [73] -0.03 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.079 +[31] 0.079 0.063 0.079 [37] C 100. 2.21 4.00 -0.17 -0.11 -0.20 0.03 [22] 1.13 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.20 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.15 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.13 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2352,8 +2352,8 @@ LS-scale= 6.361 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.039 0.2E+00 0.35 E-01 -1.0 C 1 OCC Composite @@ -2415,15 +2415,15 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [38] Mean 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.045 0.039 0.031 +[31] 0.046 0.039 0.032 [70] Maximum 0. 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.086 0.076 0.052 +[31] 0.086 0.076 0.053 [03] Reversals @@ -2468,62 +2468,62 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.042 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 4. 0.51 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.043 [37] C 5. 0.51 1.00 -0.21 0.00 -0.28 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.042 [37] C 11. 0.36 1.00 -0.08 -0.06 -0.45 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.36 1.00 0.01 -0.31 -0.14 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.36 1.00 -0.16 -0.25 0.05 0.09 [73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.062 0.077 [37] C 14. 0.36 1.00 -0.32 0.01 -0.07 0.09 [73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 15. 0.36 1.00 -0.25 0.14 -0.37 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.41 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.19 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.07 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2613,8 +2613,8 @@ LS-scale= 6.360 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.02E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.02E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2654,12 +2654,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.008 +[31] 0.012 0.014 0.009 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.031 0.019 +[31] 0.025 0.031 0.019 [03] Reversals @@ -2704,62 +2704,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.037 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.079 +[31] 0.081 0.065 0.080 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.079 0.064 0.078 [37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.082 0.065 0.080 [37] C 14. 0.37 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.063 0.080 +[31] 0.081 0.064 0.080 [37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.080 +[31] 0.081 0.064 0.080 [37] C 100. 2.50 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.09 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0466 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2848,8 +2848,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.93E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.93E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2893,12 +2893,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.009 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.026 0.015 +[31] 0.019 0.026 0.015 [03] Reversals @@ -2943,62 +2943,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.079 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.078 [37] C 100. 2.51 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 -0.0110 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3087,8 +3087,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -3148,12 +3148,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.004 +[31] 0.009 0.013 0.005 [03] Reversals @@ -3198,62 +3198,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.063 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.063 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0077 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3342,8 +3342,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.07E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.07E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3387,12 +3387,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.004 +[31] 0.007 0.010 0.004 [03] Reversals @@ -3437,62 +3437,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.076 +[31] 0.079 0.062 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.077 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0032 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3948,8 +3948,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.29E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.29E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3989,12 +3989,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.021 0.042 +[31] 0.032 0.022 0.043 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.056 0.038 0.082 +[31] 0.056 0.038 0.083 [03] Reversals @@ -4039,62 +4039,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.066 +[31] 0.068 0.054 0.066 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.068 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 100. 2.62 4.00 -0.17 -0.11 -0.20 0.03 -0.0594 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4183,8 +4183,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.12E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.12E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4225,15 +4225,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.006 +[31] 0.009 0.007 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.013 +[31] 0.019 0.014 0.013 [03] Reversals @@ -4278,62 +4278,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.071 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0517 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4422,8 +4422,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4464,15 +4464,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [03] Reversals @@ -4517,62 +4517,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4661,8 +4661,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4699,15 +4699,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -4752,62 +4752,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0043 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4917,8 +4917,8 @@ LS-scale= 6.870 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.30E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.30E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 S/ESD 1 1 -0.514 0.0E+00 0.171E-01 -30.07 SCALE [14] S/ESD 2 2 0.100 0.0E+00 0.36 E-01 2.7 C 1 OCC Composite @@ -5096,12 +5096,12 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.071 0.073 +[31] 0.062 0.071 0.073 [70] Maximum 0. 0.10 0.02 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.121 0.149 0.130 +[31] 0.121 0.149 0.130 [03] Reversals @@ -5146,62 +5146,62 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [37] C 1. 0.63 1.00 -0.14 -0.10 -0.30 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.046 [37] C 2. 0.63 1.00 -0.11 -0.20 -0.19 0.07 [73] 0.10 -0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.038 0.047 +[31] 0.047 0.039 0.047 [37] C 3. 0.63 1.00 -0.18 -0.19 -0.10 0.07 [73] 0.10 0.00 0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.046 +[31] 0.048 0.038 0.046 [37] C 4. 0.63 1.00 -0.25 -0.05 -0.16 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.046 +[31] 0.047 0.038 0.047 [37] C 5. 0.63 1.00 -0.22 -0.01 -0.28 0.07 [73] 0.10 -0.01 0.00 -0.01 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.048 +[31] 0.048 0.038 0.048 [37] C 11. 0.44 1.00 -0.11 -0.08 -0.46 0.09 [73] 0.06 -0.00 -0.01 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.070 0.088 +[31] 0.088 0.071 0.088 [37] C 12. 0.44 1.00 -0.02 -0.32 -0.16 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.088 0.070 0.086 +[31] 0.088 0.071 0.086 [37] C 13. 0.44 1.00 -0.19 -0.28 0.03 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.071 0.087 +[31] 0.088 0.071 0.087 [37] C 14. 0.44 1.00 -0.33 -0.01 -0.07 0.09 [73] 0.06 -0.00 -0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.070 0.089 +[31] 0.089 0.071 0.089 [37] C 15. 0.44 1.00 -0.28 0.12 -0.38 0.09 [73] 0.06 -0.00 0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.071 0.087 +[31] 0.089 0.071 0.087 [37] C 100. 1.81 4.00 -0.18 -0.12 -0.21 0.02 -0.5012 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [37] C 200. 2.79 4.00 -0.18 -0.12 -0.21 0.03 -0.3480 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.13 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5290,8 +5290,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.43E-04 +[80a] Block No 1. Single precision relative error: 1E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1E-04 [14] S/ESD 2 2 -0.112 -0.1E+01 0.34 E-01 -3.3 C 1 OCC Composite @@ -5446,12 +5446,12 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.027 0.039 +[31] 0.053 0.028 0.040 [70] Maximum 0. 0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.050 0.082 +[31] 0.079 0.051 0.083 [03] Reversals @@ -5496,62 +5496,62 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 0.52 1.00 -0.14 -0.10 -0.30 0.06 [73] -0.11 0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.52 1.00 -0.12 -0.20 -0.19 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 3. 0.52 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 4. 0.52 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.52 1.00 -0.22 -0.01 -0.28 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.11 -0.08 -0.46 0.10 [73] -0.01 0.00 0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.065 +[31] 0.066 0.053 0.066 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.17 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.064 +[31] 0.065 0.052 0.064 [37] C 13. 0.42 1.00 -0.20 -0.28 0.02 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.053 0.065 +[31] 0.066 0.053 0.065 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.066 +[31] 0.067 0.053 0.066 [37] C 15. 0.42 1.00 -0.27 0.11 -0.38 0.10 [73] -0.01 0.00 -0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.065 +[31] 0.066 0.052 0.065 [37] C 100. 2.37 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.56 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.20 0.05 [22] 0.06 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5640,8 +5640,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.90E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 7.90E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 [14] S/ESD 2 2 -0.070 0.6E+00 0.37 E-01 -1.9 C 1 OCC Composite @@ -5719,15 +5719,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.021 +[31] 0.019 0.017 0.021 [70] Maximum 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.030 0.044 +[31] 0.033 0.030 0.045 [03] Reversals @@ -5772,62 +5772,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.45 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.45 1.00 -0.12 -0.20 -0.20 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.035 0.044 +[31] 0.046 0.035 0.045 [37] C 3. 0.45 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.045 [37] C 4. 0.45 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.07 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.45 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.41 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.073 0.059 0.072 [37] C 12. 0.41 1.00 -0.02 -0.33 -0.16 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.072 0.058 0.071 [37] C 13. 0.41 1.00 -0.20 -0.28 0.03 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.071 +[31] 0.072 0.059 0.072 [37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.072 +[31] 0.074 0.058 0.073 [37] C 15. 0.41 1.00 -0.27 0.12 -0.38 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.057 0.071 +[31] 0.073 0.058 0.072 [37] C 100. 2.73 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.35 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.91 4.00 -0.17 -0.11 -0.20 0.04 [22] 0.04 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5916,8 +5916,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.32E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.32E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -5958,15 +5958,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.010 +[31] 0.007 0.005 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.010 0.028 +[31] 0.019 0.010 0.028 [03] Reversals @@ -6011,62 +6011,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.074 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.074 0.059 0.072 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.059 0.073 [37] C 100. 2.75 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0109 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6156,8 +6156,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.31E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.31E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6194,15 +6194,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.003 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.014 +[31] 0.007 0.004 0.014 [03] Reversals @@ -6247,62 +6247,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0039 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6391,8 +6391,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.30E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6429,15 +6429,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.008 +[31] 0.005 0.001 0.008 [03] Reversals @@ -6482,62 +6482,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.046 +[31] 0.047 0.037 0.046 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.072 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6993,8 +6993,8 @@ LS-scale= 6.354 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.01E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.01E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 -0.224 0.0E+00 0.151E+00 -1.49 SCALE [14] S/ESD 29 29 0.010 0.0E+00 0.75 E-02 1.4 C 13 Z @@ -7036,12 +7036,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.025 0.048 +[31] 0.038 0.025 0.048 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.064 0.047 0.093 +[31] 0.064 0.048 0.094 [03] Reversals @@ -7086,62 +7086,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.45 0.10 [73] -0.01 0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.065 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.064 +[31] 0.066 0.053 0.064 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.066 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.066 +[31] 0.068 0.053 0.066 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.052 0.066 +[31] 0.068 0.053 0.066 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0165 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7230,8 +7230,8 @@ LS-scale= 6.337 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.84E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.84E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7308,15 +7308,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.008 +[31] 0.010 0.006 0.008 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.016 [03] Reversals @@ -7361,62 +7361,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0659 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7505,8 +7505,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.76E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.76E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -7550,12 +7550,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.005 0.008 [03] Reversals @@ -7600,62 +7600,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7744,8 +7744,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.73E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.73E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7802,15 +7802,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [03] Reversals @@ -7855,62 +7855,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.59 4.00 -0.17 -0.11 -0.20 0.03 -0.0057 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7920,7 +7920,7 @@ All cycle Rw 0.0 19. 0.10E+03 [24] F 5. 0.073 0.273 0.509 0.285 0.216 1.904 Might be split [24] F 6. 0.074 0.281 0.754 0.370 0.251 2.854 Might be split #CYCLENDS -#USE SHAPERING3.IN +#USE SHAPERING1.IN # # PUNCHED ON AT # @@ -7940,9 +7940,6 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. 3 Symmetry restraints written to LIST 17 #LIST 17 #REFINE 1 - Atom C 100 has U-iso too small, -0.0018 - 1 temperature factors less than the lowest allowed value of 0.00000 - The minimum value was -0.00183 Initialising Special positions @@ -7954,30 +7951,30 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. h k l Fo Fc -[61] 1. 1. 0. 60. 76. -[61] 4. 1. 0. 19. 14. -[61] -11. 2. 0. 1. 3. -[61] 10. 2. 0. 4. 5. -[61] 10. 3. 0. 2. 3. -[61] -5. 4. 0. 18. 14. -[61] -6. 6. 0. 8. 4. -[61] 0. 6. 0. 16. 10. +[61] 1. 1. 0. 65. 80. +[61] 4. 1. 0. 20. 14. +[61] 6. 1. 0. 17. 13. +[61] -11. 2. 0. 1. 2. +[61] 2. 2. 0. 34. 23. +[61] 3. 2. 0. 30. 20. +[61] 8. 2. 0. 10. 8. +[61] -3. 3. 0. 16. 10. +[61] -2. 3. 0. 36. 27. +[61] -1. 3. 0. 36. 27. +[61] 3. 3. 0. 11. 6. +[61] 6. 3. 0. 18. 12. +[61] -6. 4. 0. 18. 13. +[61] -5. 4. 0. 20. 12. +[61] 0. 4. 0. 23. 18. +[61] 6. 4. 0. 7. 5. +[61] -7. 5. 0. 11. 8. +[61] 6. 5. 0. 13. 10. +[61] -6. 6. 0. 8. 5. +[61] -1. 6. 0. 18. 11. [61] 5. 6. 0. 9. 7. -[61] 8. 6. 0. 5. 7. -[61] 0. 7. 0. 19. 14. -[61] 1. 7. 0. 12. 8. -[61] 2. 7. 0. 9. 11. -[61] 7. 7. 0. 4. 5. -[61] 4. 8. 0. 7. 6. -[61] 6. 8. 0. 5. 6. -[61] 2. 10. 0. 2. 3. -[61] 3. 10. 0. 2. 4. -[61] 2. 11. 0. 4. 5. -[61] -4. -10. 1. 5. 7. -[61] -3. -10. 1. 3. 5. -[61] -4. -9. 1. 5. 7. -[61] -8. -7. 1. 3. 5. -[61] 0. -7. 1. 4. 2. +[61] -4. 7. 0. 15. 11. +[61] -5. 9. 0. 7. 5. +[61] 2. 10. 0. 2. 2. And so on ------------ @@ -7986,22 +7983,22 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 10. 23. ************ +[62] 13. 27. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 34000 32000 3400 On scale of /FC/ +[33] 36000 32000 4900 On scale of /FC/ -[32] 211780 202020 21560 0.33 E+06 On scale of /FO/ +[32] 211780 186550 28630 0.45 E+06 On scale of /FO/ - New scale factor (G) is 6.196, 2803 reflections used in refinement + New scale factor (G) is 5.759, 2803 reflections used in refinement Structure factor least squares calculation 6 ends 2 -[29] SumFo/SumFc= 6.49 SumFoFc/SumFc^2= 6.32 SumwFoFc/SumwFc^2= 6.40 -LS-scale= 6.196 Wilson Scale= 0.000 -[27] - = 0.5 100*(-)/ = 4. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 5.759 Wilson Scale= 0.000 +[27] - = 1.5 100*(-)/ = 11. #DORESTRAIN #LIST 26 #DORESTRAIN @@ -8023,10 +8020,36 @@ LS-scale= 6.196 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 6.35E-05 -[13] LARGE 1 1 1.6 0.0E+00 0.1 E+00 8.6 SCALE -[14] S/ESD 2 2 0.303 0.0E+00 0.24 E-01 12.4 C 1 OCC +[80a] Block No 1. Single precision relative error: 1E-03 +Insufficient precision - trying double +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 3E-12 +[13] LARGE 1 1 7.1 0.0E+00 0.2 E+00 32.3 SCALE +[14] S/ESD 2 2 0.426 0.0E+00 0.62 E-01 6.8 C 1 OCC + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + +[14] S/ESD 3 3 -0.011 0.0E+00 0.69 E-02 -1.6 C 1 X +[14] S/ESD 4 4 0.011 0.0E+00 0.65 E-02 1.6 C 1 Y +[14] S/ESD 5 5 0.020 0.0E+00 0.85 E-02 2.3 C 1 Z +[14] S/ESD 6 6 0.047 0.0E+00 0.98 E-02 4.8 C 1 U[ISO] Composite Composite @@ -8043,13 +8066,19 @@ Block No 1. Single precision relative error: 6.35E-05 Composite +[14] S/ESD 8 8 0.017 0.0E+00 0.63 E-02 2.8 C 2 Y +[14] S/ESD 9 9 0.016 0.0E+00 0.86 E-02 1.9 C 2 Z +[14] S/ESD 10 10 -0.018 0.0E+00 0.69 E-02 -2.6 C 3 X +[14a] LARGE 11 11 -0.029 0.0E+00 0.62 E-02 -4.7 C 3 Y +[14] S/ESD 12 12 0.011 0.0E+00 0.89 E-02 1.3 C 3 Z +[14] S/ESD 13 13 -0.013 0.0E+00 0.67 E-02 -1.9 C 4 X +[14] S/ESD 17 17 -0.013 0.0E+00 0.64 E-02 -2.0 C 5 Y +[14] S/ESD 18 18 0.015 0.0E+00 0.85 E-02 1.8 C 5 Z +[14] S/ESD 19 19 0.222 0.0E+00 0.47 E-01 4.6 C 11 OCC Composite Composite -[14] S/ESD 4 4 -0.013 0.0E+00 0.35 E-02 -3.7 C 1 Y -[14] S/ESD 5 5 -0.016 0.0E+00 0.47 E-02 -3.5 C 1 Z -[14] S/ESD 6 6 0.038 0.0E+00 0.39 E-02 9.6 C 1 U[ISO] Composite Composite @@ -8066,9 +8095,8 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 11 11 0.010 0.0E+00 0.35 E-02 2.9 C 3 Y -[14] S/ESD 15 15 0.011 0.0E+00 0.47 E-02 2.4 C 4 Z -[14] S/ESD 22 22 -0.010 0.0E+00 0.56 E-02 -1.8 C 11 Z +[14a] LARGE 20 20 0.040 0.0E+00 0.18 E-01 2.1 C 11 X +[14] S/ESD 23 23 -0.017 0.0E+00 0.22 E-02 -7.7 C 11 U[ISO] Composite Composite @@ -8141,22 +8169,23 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 24 24 -0.013 0.0E+00 0.44 E-02 -3.1 C 12 X -[14] S/ESD 28 28 -0.012 0.0E+00 0.42 E-02 -2.8 C 13 Y -[14] S/ESD 33 33 -0.014 0.0E+00 0.45 E-02 -3.2 C 15 X -[14] S/ESD 34 34 -0.010 0.0E+00 0.42 E-02 -2.4 C 15 Y -[14] S/ESD 35 35 -0.010 0.0E+00 0.56 E-02 -1.9 C 15 Z +[14] S/ESD 24 24 0.020 0.0E+00 0.18 E-01 1.1 C 12 X +[14] S/ESD 25 25 0.019 0.0E+00 0.17 E-01 1.0 C 12 Y +[14a] LARGE 28 28 0.031 0.0E+00 0.17 E-01 1.7 C 13 Y +[14a] LARGE 30 30 -0.024 0.0E+00 0.19 E-01 -1.2 C 14 X +[14a] LARGE 32 32 -0.039 0.0E+00 0.23 E-01 -1.6 C 14 Z +[14a] LARGE 33 33 0.037 0.0E+00 0.18 E-01 1.9 C 15 X for 35 parameters -[64] The rms (shift/su) = 3. +[64] The rms (shift/su) = 6. [64] The mean abs(shift/su) = 2. - The largest (shift/esd) = 12.43, for Parameter 2, C1OCC + The largest (shift/esd) = 32.33, for Parameter 1, SCALE Min Actual Max -All cycle R-factor 0.0 10. 0.10E+03 -All cycle Rw 0.0 24. 0.10E+03 +All cycle R-factor 0.0 14. 0.10E+03 +All cycle Rw 0.0 28. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.33E+06 0.10E+16 +All cycle Min function 0.0 0.45E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -8167,8 +8196,8 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.33E+06 0.0E+00 0.33E+06 -[45] Hamilton weighted R-value 23. 0.00 23. +[30] Minimisation function 0.45E+06 0.0E+00 0.45E+06 +[45] Hamilton weighted R-value 27. 0.00 27. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8181,16 +8210,16 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 1.62 0.15 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 -0.01 -0.01 +[38] Mean 7.10 0.32 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.032 0.030 -[71] R.M.S. 1. 0.21 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.087 0.072 0.079 +[71] R.M.S. 7. 0.34 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.242 0.164 0.152 -[70] Maximum 1. 0.30 0.03 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.161 0.123 0.147 +[70] Maximum 7. 0.42 0.04 0.04 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.443 0.294 0.344 [03] Reversals @@ -8221,9 +8250,9 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 -[41] 0.13 0.00 0.00 -[41] 0.09 0.00 0.00 +[41] 6.34 0.05 0.05 +[41] 0.58 0.00 0.00 +[41] 0.11 0.00 0.00 @@ -8232,66 +8261,66 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.91 1.00 -0.14 -0.10 -0.31 0.09 -[73] 0.30 -0.00 -0.01 -0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 2. 0.91 1.00 -0.11 -0.21 -0.18 0.09 -[73] 0.30 -0.00 0.00 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 3. 0.91 1.00 -0.17 -0.19 -0.09 0.09 -[73] 0.30 0.00 0.01 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.041 +[37] C 1. 0.95 1.00 -0.13 -0.10 -0.29 0.11 +[73] 0.42 -0.01 0.01 0.02 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.061 0.075 -[37] C 4. 0.91 1.00 -0.25 -0.06 -0.16 0.09 -[73] 0.30 0.00 0.00 0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 2. 0.95 1.00 -0.11 -0.19 -0.18 0.11 +[73] 0.42 -0.00 0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.076 -[37] C 5. 0.91 1.00 -0.22 -0.01 -0.28 0.09 -[73] 0.30 0.00 0.00 0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 3. 0.95 1.00 -0.19 -0.20 -0.09 0.11 +[73] 0.42 -0.01 -0.02 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.078 -[37] C 11. 0.56 1.00 -0.10 -0.08 -0.44 0.07 -[73] 0.01 -0.00 -0.00 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 4. 0.95 1.00 -0.26 -0.05 -0.17 0.11 +[73] 0.42 -0.01 0.00 0.00 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.075 0.061 0.075 -[37] C 12. 0.56 1.00 -0.01 -0.33 -0.14 0.07 -[73] 0.01 -0.01 0.00 -0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.049 0.039 0.048 +[37] C 5. 0.95 1.00 -0.21 -0.01 -0.28 0.11 +[73] 0.42 0.00 -0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.076 0.061 0.074 -[37] C 13. 0.56 1.00 -0.18 -0.26 0.05 0.07 -[73] 0.01 -0.00 -0.01 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 +[73] 0.22 0.04 0.00 -0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.206 0.169 0.205 -[37] C 14. 0.56 1.00 -0.33 -0.01 -0.06 0.07 -[73] 0.01 -0.00 0.00 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 +[73] 0.22 0.02 0.01 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.203 0.167 0.195 -[37] C 15. 0.56 1.00 -0.27 0.13 -0.37 0.07 -[73] 0.01 -0.01 -0.01 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 13. 0.54 1.00 -0.18 -0.25 0.04 0.11 +[73] 0.22 -0.00 0.03 0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.209 0.168 0.200 -[37] C 100. 0.44 4.00 -0.20 -0.14 -0.22 0.00 - -1.5155 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 14. 0.54 1.00 -0.34 0.00 -0.10 0.11 +[73] 0.22 -0.02 -0.01 -0.03 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.212 0.167 0.207 -[37] C 200. 2.17 4.00 -0.20 -0.14 -0.23 0.02 - -0.0767 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.09 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 -[84] Mean C-C su = 0.03 +[37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 +[73] 0.22 0.03 0.00 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.207 0.163 0.203 + +[37] C 100. 0.22 4.00 -0.16 -0.09 -0.18 0.04 + -2.1337 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.31 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 + +[37] C 200. 2.28 4.00 -0.16 -0.10 -0.19 0.06 + -1.1126 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.23 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 +[84] Mean C-C su = 0.11 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8314,30 +8343,30 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 h k l Fo Fc -[61] 2. 10. 0. 2. 2. -[61] 3. 10. 0. 2. 4. -[61] -8. -7. 1. 3. 4. -[61] 0. -7. 1. 4. 3. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. +[61] 3. 10. 0. 2. 3. +[61] -3. -6. 1. 4. 6. [61] 10. -4. 1. 3. 5. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. -[61] 10. -1. 1. 2. 4. -[61] 4. 0. 1. 23. 16. +[61] 10. -1. 1. 2. 5. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. -[61] 2. 1. 1. 14. 19. -[61] 4. 2. 1. 17. 11. -[61] 2. 10. 1. 3. 4. -[61] -5. -5. 2. 4. 6. +[61] -5. -5. 2. 4. 7. [61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 3. -[61] 9. -3. 2. 3. 6. +[61] 9. -3. 2. 3. 5. [61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. +[61] 4. -1. 2. 7. 3. +[61] 9. -1. 2. 2. 4. +[61] 9. 0. 2. 2. 5. +[61] 5. 2. 2. 3. 6. +[61] 4. 4. 2. 6. 3. +[61] 3. -6. 3. 3. 1. +[61] 8. -4. 3. 3. 5. +[61] -2. -3. 3. 8. 12. +[61] 8. -3. 3. 3. 6. +[61] 8. -2. 3. 1. 3. +[61] 8. -1. 3. 1. 3. +[61] 8. 0. 3. 2. 3. And so on ------------ @@ -8346,7 +8375,7 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 8. 20. ************ +[62] 8. 21. ************ *** *** @@ -8354,14 +8383,14 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 [33] 33000 32000 2700 On scale of /FC/ -[32] 211780 205420 17410 0.25 E+06 On scale of /FO/ +[32] 211780 205850 17550 0.26 E+06 On scale of /FO/ - New scale factor (G) is 6.326, 2803 reflections used in refinement + New scale factor (G) is 6.346, 2803 reflections used in refinement Structure factor least squares calculation 7 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.47 -LS-scale= 6.326 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 6.346 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8379,9 +8408,9 @@ LS-scale= 6.326 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.88E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 5.88E-05 -[14] S/ESD 2 2 0.030 0.1E+00 0.24 E-01 1.2 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.229 -0.5E+00 0.45 E-01 -5.0 C 1 OCC Composite Composite @@ -8402,7 +8431,8 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 6 6 -0.015 -0.4E+00 0.36 E-02 -4.2 C 1 U[ISO] +[14] S/ESD 5 5 -0.015 -0.8E+00 0.45 E-02 -3.3 C 1 Z +[14] S/ESD 6 6 -0.039 -0.8E+00 0.46 E-02 -8.6 C 1 U[ISO] Composite Composite @@ -8419,7 +8449,13 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 19 19 -0.042 -0.3E+01 0.19 E-01 -2.2 C 11 OCC +[14] S/ESD 8 8 -0.014 -0.8E+00 0.34 E-02 -4.1 C 2 Y +[14] S/ESD 9 9 -0.014 -0.8E+00 0.47 E-02 -2.9 C 2 Z +[14] S/ESD 10 10 0.013 -0.7E+00 0.39 E-02 3.4 C 3 X +[14] S/ESD 11 11 0.014 -0.5E+00 0.36 E-02 3.9 C 3 Y +[14] S/ESD 16 16 -0.010 -0.1E+01 0.36 E-02 -2.8 C 5 X +[14] S/ESD 18 18 -0.013 -0.8E+00 0.46 E-02 -2.8 C 5 Z +[14] S/ESD 19 19 -0.142 -0.6E+00 0.29 E-01 -4.8 C 11 OCC Composite Composite @@ -8440,8 +8476,7 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 22 22 -0.010 0.1E+01 0.50 E-02 -2.1 C 11 Z -[14] S/ESD 23 23 0.013 0.2E+01 0.14 E-02 9.1 C 11 U[ISO] +[14a] LARGE 22 22 0.032 -0.2E+01 0.76 E-02 4.2 C 11 Z Composite Composite @@ -8514,19 +8549,23 @@ Block No 1. Single precision relative error: 5.88E-05 Composite +[14] S/ESD 26 26 0.014 0.5E+01 0.77 E-02 1.9 C 12 Z +[14] S/ESD 30 30 0.010 -0.4E+00 0.63 E-02 1.5 C 14 X +[14] S/ESD 32 32 0.012 -0.3E+00 0.78 E-02 1.6 C 14 Z +[14] S/ESD 34 34 0.010 0.4E+01 0.58 E-02 1.8 C 15 Y for 35 parameters [64] The rms (shift/su) = 2. [64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 9.1 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 8.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 8.2 0.10E+03 +All cycle R-factor 0.0 8.3 0.10E+03 All cycle Rw 0.0 21. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.25E+06 0.10E+16 -Inter cycle R-factor -5.0 2.0 0.10E+03 -Inter cycle Rw -5.0 3.1 0.10E+03 +All cycle Min function 0.0 0.26E+06 0.10E+16 +Inter cycle R-factor -5.0 5.2 0.10E+03 +Inter cycle Rw -5.0 6.8 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8539,8 +8578,8 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.25E+06 0.0E+00 0.25E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.26E+06 0.0E+00 0.26E+06 +[45] Hamilton weighted R-value 21. 0.00 21. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8553,16 +8592,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.02 -0.02 +[38] Mean -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.018 0.015 0.015 -[71] R.M.S. 0. 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.038 0.049 +[71] R.M.S. 0. 0.19 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.077 0.075 0.125 -[70] Maximum 0. 0.04 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.097 0.090 0.095 +[70] Maximum 0. 0.22 0.03 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.150 0.135 0.282 [03] Reversals @@ -8593,7 +8632,7 @@ Inter cycle Rw -5.0 3.1 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 +[41] 6.34 0.05 0.05 [41] -0.00 0.00 0.00 [41] 0.08 0.00 0.00 @@ -8604,66 +8643,66 @@ Inter cycle Rw -5.0 3.1 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.94 1.00 -0.13 -0.10 -0.30 0.07 -[73] 0.03 0.00 -0.00 0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.034 +[37] C 1. 0.72 1.00 -0.13 -0.10 -0.31 0.07 +[73] -0.22 -0.00 -0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.042 0.033 0.040 -[37] C 2. 0.94 1.00 -0.11 -0.21 -0.19 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.029 0.035 +[37] C 2. 0.72 1.00 -0.11 -0.21 -0.19 0.07 +[73] -0.22 -0.00 -0.01 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.032 0.041 -[37] C 3. 0.94 1.00 -0.18 -0.20 -0.09 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.037 0.029 0.035 +[37] C 3. 0.72 1.00 -0.18 -0.19 -0.10 0.07 +[73] -0.22 0.01 0.01 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.034 0.041 -[37] C 4. 0.94 1.00 -0.25 -0.06 -0.16 0.07 -[73] 0.03 -0.00 0.00 0.00 -0.01 +[37] C 4. 0.72 1.00 -0.25 -0.05 -0.17 0.07 +[73] -0.22 0.00 -0.00 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.033 0.041 + +[37] C 5. 0.72 1.00 -0.22 0.00 -0.29 0.07 +[73] -0.22 -0.01 0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.034 0.040 + +[37] C 11. 0.40 1.00 -0.07 -0.06 -0.43 0.10 +[73] -0.14 0.00 0.00 0.03 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.035 +[31] 0.068 0.054 0.067 -[37] C 5. 0.94 1.00 -0.22 -0.01 -0.29 0.07 -[73] 0.03 -0.00 0.00 -0.00 -0.01 +[37] C 12. 0.40 1.00 0.00 -0.31 -0.14 0.10 +[73] -0.14 0.00 -0.00 0.01 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.036 0.028 0.035 +[31] 0.069 0.056 0.067 -[37] C 11. 0.52 1.00 -0.11 -0.09 -0.45 0.08 -[73] -0.04 -0.00 -0.00 -0.01 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 13. 0.40 1.00 -0.18 -0.25 0.04 0.10 +[73] -0.14 -0.00 -0.00 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.072 0.057 0.069 -[37] C 12. 0.52 1.00 -0.01 -0.33 -0.15 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[37] C 14. 0.40 1.00 -0.33 0.00 -0.08 0.10 +[73] -0.14 0.01 0.00 0.01 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.054 0.068 -[37] C 13. 0.52 1.00 -0.18 -0.27 0.05 0.08 -[73] -0.04 -0.00 -0.00 0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 15. 0.40 1.00 -0.24 0.15 -0.36 0.10 +[73] -0.14 -0.00 0.01 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.055 0.068 -[37] C 14. 0.52 1.00 -0.33 -0.01 -0.06 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[37] C 100. 1.36 4.00 -0.16 -0.10 -0.19 0.04 +[22] 1.14 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.22 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 -[37] C 15. 0.52 1.00 -0.27 0.12 -0.38 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 - -[37] C 100. 0.29 4.00 -0.18 -0.12 -0.21 0.02 - -0.1516 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.12 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 - -[37] C 200. 2.38 4.00 -0.19 -0.12 -0.22 0.03 -[22] 0.21 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.09 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 -[84] Mean C-C su = 0.03 +[37] C 200. 2.99 4.00 -0.17 -0.10 -0.20 0.05 +[22] 0.71 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.14 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8686,18 +8725,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 h k l Fo Fc +[61] 1. 1. 0. 59. 77. [61] -11. 2. 0. 1. 3. -[61] -6. 6. 0. 8. 6. -[61] 0. 6. 0. 16. 12. -[61] 1. 7. 0. 11. 8. -[61] 3. 10. 0. 2. 3. +[61] -6. 6. 0. 8. 5. [61] -2. -11. 1. 5. 6. [61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. [61] -7. -5. 1. 8. 6. -[61] -6. -5. 1. 7. 5. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. @@ -8706,10 +8739,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [61] 10. -2. 1. 2. 4. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. -[61] 4. 0. 1. 23. 16. +[61] 4. 0. 1. 23. 17. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. +[61] 0. 5. 1. 7. 5. +[61] -8. -7. 2. 2. 3. +[61] -5. -5. 2. 4. 6. +[61] -8. -4. 2. 10. 7. +[61] 9. -4. 2. 2. 4. +[61] -2. -3. 2. 15. 20. +[61] 5. -3. 2. 5. 3. +[61] 9. -3. 2. 3. 5. And so on ------------ @@ -8718,22 +8757,22 @@ Inter cycle Rw -5.0 3.1 0.10E+03 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 7. 20. ************ +[62] 7. 19. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2600 On scale of /FC/ +[33] 33000 32000 2500 On scale of /FC/ -[32] 211780 205320 16930 0.23 E+06 On scale of /FO/ +[32] 211780 205760 16140 0.22 E+06 On scale of /FO/ - New scale factor (G) is 6.324, 2803 reflections used in refinement + New scale factor (G) is 6.344, 2803 reflections used in refinement Structure factor least squares calculation 8 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.48 -LS-scale= 6.324 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.344 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8751,30 +8790,9 @@ LS-scale= 6.324 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.59E-05 -[14] S/ESD 2 2 -0.276 -0.9E+01 0.31 E-01 -8.6 C 1 OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - -[14] S/ESD 19 19 -0.068 0.2E+01 0.23 E-01 -2.9 C 11 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.151 0.7E+00 0.39 E-01 -3.8 C 1 OCC Composite Composite @@ -8795,7 +8813,7 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 23 23 0.010 0.8E+00 0.17 E-02 6.1 C 11 U[ISO] +[14] S/ESD 23 23 -0.010 0.1E+01 0.15 E-02 -6.4 C 11 U[ISO] Composite Composite @@ -8868,23 +8886,20 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 27 27 -0.011 0.2E+02 0.49 E-02 -2.2 C 13 X -[14] S/ESD 28 28 -0.011 0.2E+01 0.45 E-02 -2.4 C 13 Y -[14] S/ESD 29 29 -0.010 -0.5E+01 0.60 E-02 -1.7 C 13 Z -[14] S/ESD 32 32 -0.010 0.3E+01 0.61 E-02 -1.7 C 14 Z +[14] S/ESD 27 27 0.013 -0.2E+02 0.74 E-02 1.7 C 13 X for 35 parameters -[64] The rms (shift/su) = 2. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 8.6 , for Parameter 2, C1OCC +[64] The rms (shift/su) = 1. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 6.4 , for Parameter 23, C11U[11] Min Actual Max -All cycle R-factor 0.0 8.0 0.10E+03 +All cycle R-factor 0.0 7.6 0.10E+03 All cycle Rw 0.0 20. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.24E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.2 0.1 E+03 -[26] Inter cycle Rw -5.0 0.6 0.1 E+03 +All cycle Min function 0.0 0.23E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.6 0.1 E+03 +Inter cycle Rw -5.0 1.5 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8897,8 +8912,8 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.23E+06 0.0E+00 0.23E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.22E+06 0.0E+00 0.22E+06 +[45] Hamilton weighted R-value 19. 0.00 19. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8911,16 +8926,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.15 -0.17 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.01 -0.01 +[38] Mean -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.018 -[71] R.M.S. 0. 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.061 0.058 +[71] R.M.S. 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.069 0.041 0.045 -[70] Maximum 0. 0.27 0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.106 0.091 +[70] Maximum 0. 0.15 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.147 0.066 0.079 [03] Reversals @@ -8952,7 +8967,7 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.01 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -8962,66 +8977,66 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.66 1.00 -0.13 -0.10 -0.30 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 1. 0.57 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 2. 0.66 1.00 -0.11 -0.20 -0.18 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 2. 0.57 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.15 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.036 0.028 0.035 -[37] C 3. 0.66 1.00 -0.17 -0.19 -0.09 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 3. 0.57 1.00 -0.18 -0.19 -0.10 0.06 +[73] -0.15 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.035 -[37] C 4. 0.66 1.00 -0.25 -0.06 -0.16 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 4. 0.57 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.034 0.028 0.034 -[37] C 5. 0.66 1.00 -0.22 -0.01 -0.28 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 5. 0.57 1.00 -0.22 0.00 -0.29 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 11. 0.45 1.00 -0.11 -0.09 -0.46 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 11. 0.38 1.00 -0.07 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.052 0.042 0.051 +[31] 0.079 0.064 0.078 -[37] C 12. 0.45 1.00 -0.02 -0.33 -0.16 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.079 0.064 0.077 -[37] C 13. 0.45 1.00 -0.19 -0.28 0.04 0.09 -[73] -0.06 -0.01 -0.01 -0.01 0.01 +[37] C 13. 0.38 1.00 -0.16 -0.24 0.05 0.09 +[73] -0.01 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.083 0.065 0.080 -[37] C 14. 0.45 1.00 -0.34 -0.02 -0.07 0.09 -[73] -0.06 -0.00 -0.00 -0.01 0.01 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.082 0.064 0.080 -[37] C 15. 0.45 1.00 -0.28 0.11 -0.38 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 +[73] -0.01 -0.00 0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.081 0.064 0.080 -[37] C 100. 1.67 4.00 -0.17 -0.11 -0.20 0.03 -[22] 1.38 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.15 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[37] C 100. 2.12 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.75 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.19 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 -[37] C 200. 2.73 4.00 -0.18 -0.11 -0.21 0.04 -[22] 0.34 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.11 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 -[84] Mean C-C su = 0.03 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.09 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.13 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -9044,30 +9059,30 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 h k l Fo Fc +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. +[61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] 6. 5. 1. 5. 4. +[61] -2. 1. 1. 62. 76. +[61] 1. 6. 1. 13. 10. [61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. -[61] 9. -3. 2. 3. 5. -[61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. -[61] 9. -1. 2. 2. 3. And so on ------------ @@ -9082,16 +9097,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2500 On scale of /FC/ +[33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205390 15850 0.21 E+06 On scale of /FO/ +[32] 211780 205530 15810 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.336, 2803 reflections used in refinement + New scale factor (G) is 6.338, 2803 reflections used in refinement Structure factor least squares calculation 9 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.336 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.338 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9109,9 +9124,9 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.40E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.40E-04 -[14] S/ESD 2 2 -0.192 0.7E+00 0.35 E-01 -5.3 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.063 0.4E+00 0.35 E-01 -1.8 C 1 OCC Composite Composite @@ -9132,7 +9147,6 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 6 6 -0.015 0.8E+01 0.37 E-02 -4.1 C 1 U[ISO] Composite Composite @@ -9149,114 +9163,21 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 19 19 -0.043 0.6E+00 0.24 E-01 -1.7 C 11 OCC - Composite - Composite + for 35 parameters +[64] The rms (shift/su) = 0. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 1.8 , for Parameter 2, C1OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - - for 35 parameters -[64] The rms (shift/su) = 1. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 5.3 , for Parameter 2, C1OCC - - Min Actual Max -All cycle R-factor 0.0 7.5 0.10E+03 -All cycle Rw 0.0 19. 0.10E+03 -[06] All cycle shift/esd -All cycle Min function 0.0 0.22E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.5 0.1 E+03 -[26] Inter cycle Rw -5.0 0.7 0.1 E+03 -[69] Inter cycle shift/esd -[07] Inter cycle Min function 0.0 + Min Actual Max +All cycle R-factor 0.0 7.5 0.10E+03 +All cycle Rw 0.0 19. 0.10E+03 +[06] All cycle shift/esd +All cycle Min function 0.0 0.22E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.1 0.1 E+03 +[26] Inter cycle Rw -5.0 0.3 0.1 E+03 +[69] Inter cycle shift/esd +[07] Inter cycle Min function 0.0 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9281,16 +9202,16 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.04 -0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 0.00 0.00 +[38] Mean -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] -0.000 0.000 0.001 -[71] R.M.S. 0. 0.13 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.032 0.046 +[71] R.M.S. 0. 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.030 0.023 -[70] Maximum 0. 0.19 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.052 0.071 +[70] Maximum 0. 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.084 0.044 0.037 [03] Reversals @@ -9322,7 +9243,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9332,65 +9253,65 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.47 1.00 -0.14 -0.10 -0.30 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.037 +[31] 0.041 0.033 0.040 -[37] C 2. 0.47 1.00 -0.12 -0.21 -0.19 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 3. 0.47 1.00 -0.18 -0.19 -0.09 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 4. 0.51 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.052 0.064 +[31] 0.077 0.061 0.075 -[37] C 12. 0.40 1.00 -0.02 -0.33 -0.15 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.051 0.062 +[31] 0.075 0.061 0.074 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.04 -0.00 -0.00 -0.00 0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.063 +[31] 0.078 0.062 0.075 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.04 -0.00 0.00 -0.00 0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.064 +[31] 0.077 0.061 0.076 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.36 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.051 0.063 +[31] 0.077 0.061 0.076 -[37] C 100. 2.63 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.96 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.17 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 100. 2.44 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.31 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.05 -[22] 0.21 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.12 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 200. 3.14 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.05 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9415,30 +9336,30 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. +[61] -11. -2. 1. 2. 1. [61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. And so on ------------ @@ -9455,13 +9376,13 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205450 15700 0.21 E+06 On scale of /FO/ +[32] 211780 205500 15780 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.339, 2803 reflections used in refinement + New scale factor (G) is 6.337, 2803 reflections used in refinement Structure factor least squares calculation 10 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.339 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.337 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9480,91 +9401,19 @@ LS-scale= 6.339 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.75E-04 - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 1.0 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 0.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 +All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9589,16 +9438,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[38] Mean -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[89] 0.00 0.00 0.00 -[71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.016 +[71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.012 0.009 0.009 -[70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.027 0.030 +[70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.017 [03] Reversals @@ -9629,8 +9478,8 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] 6.33 0.05 0.05 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9640,65 +9489,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.02 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.01 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.44 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.49 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.01 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.043 -[37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.02 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 -[73] -0.02 -0.00 -0.00 0.00 -0.00 +[37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.079 0.063 0.077 -[37] C 12. 0.40 1.00 -0.01 -0.33 -0.15 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.071 +[31] 0.078 0.063 0.076 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.080 0.063 0.077 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.059 0.073 +[31] 0.079 0.062 0.078 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.079 0.063 0.078 -[37] C 100. 2.77 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.14 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.08 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.04 -[22] 0.00 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 + -0.0420 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9722,30 +9571,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 5. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -2. -11. 2. 3. 3. And so on ------------ @@ -9762,13 +9611,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 11 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9787,21 +9636,93 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.70E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.70E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.2 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.1 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-02 0.1 E+03 -[25] Inter cycle Rw -5.0 0. E-01 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-01 0.1 E+03 +[25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -9828,16 +9749,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.005 0.005 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.011 +[31] 0.010 0.011 0.007 [03] Reversals @@ -9868,7 +9789,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9879,65 +9800,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.077 0.062 0.076 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 -0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.074 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.078 0.062 0.076 -[37] C 14. 0.41 1.00 -0.34 -0.02 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.078 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.078 0.061 0.076 -[37] C 100. 2.81 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.04 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.02 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 -[37] C 200. 2.94 4.00 -0.17 -0.11 -0.20 0.04 - -0.0154 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 + -0.0145 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9961,30 +9882,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10001,13 +9922,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 12 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10026,20 +9947,20 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.1 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 24, C12X Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-03 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-02 0.1 E+03 [25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -10067,16 +9988,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.006 0.004 0.003 [03] Reversals @@ -10107,7 +10028,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10118,65 +10039,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.077 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.078 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 -0.00 0.00 -0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0072 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10200,20 +10121,18 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. [61] -1. -1. 1. 62. 77. @@ -10223,7 +10142,9 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10240,13 +10161,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 13 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10265,16 +10186,16 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.66E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.0 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd Forced termination after this cycle: Actual value condition on: shift/esd @@ -10302,16 +10223,16 @@ All cycle Rw 0.0 19. 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.003 0.004 0.001 [03] Reversals @@ -10342,7 +10263,7 @@ All cycle Rw 0.0 19. 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10353,65 +10274,65 @@ All cycle Rw 0.0 19. 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.077 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.060 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.075 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10623,7 +10544,6 @@ All cycle Rw 0.0 19. 0.10E+03 CALCULATED APPLIED 0.000 0.000 - -0.001 -0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10641,6 +10561,7 @@ All cycle Rw 0.0 19. 0.10E+03 0.000 0.000 0.000 0.000 0.000 0.000 + 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10867,8 +10788,8 @@ LS-scale= 6.302 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.27E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.27E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.341 0.0E+00 0.151E+00 2.26 SCALE for 35 parameters @@ -10909,12 +10830,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.041 +[31] 0.034 0.026 0.041 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.056 0.077 +[31] 0.058 0.057 0.077 [03] Reversals @@ -10959,62 +10880,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.065 +[31] 0.067 0.054 0.065 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.068 0.055 0.067 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.067 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.053 0.067 +[31] 0.069 0.054 0.067 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0111 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11103,8 +11024,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.89E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.89E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11181,15 +11102,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.005 0.007 +[31] 0.010 0.005 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.010 0.013 +[31] 0.020 0.010 0.013 [03] Reversals @@ -11234,62 +11155,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0649 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11378,8 +11299,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.80E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.80E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -11420,15 +11341,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -11473,62 +11394,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11617,8 +11538,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.77E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11675,15 +11596,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -11728,62 +11649,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0055 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11893,8 +11814,8 @@ LS-scale= 5.752 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 5.86E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 6E-04 [13] LARGE 1 1 7.0 0.0E+00 0.2 E+00 32.0 SCALE [14] S/ESD 2 2 0.521 0.0E+00 0.51 E-01 10.2 C 1 OCC Composite @@ -12056,15 +11977,15 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [38] Mean 7.06 0.28 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.036 0.031 0.028 +[31] 0.036 0.031 0.029 [71] R.M.S. 7. 0.36 0.04 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.122 0.114 0.168 +[31] 0.122 0.115 0.169 [70] Maximum 7. 0.52 0.06 0.02 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.235 0.286 0.319 +[31] 0.236 0.286 0.320 [03] Reversals @@ -12109,62 +12030,62 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [37] C 1. 0.94 1.00 -0.13 -0.09 -0.29 0.11 [73] 0.52 -0.00 0.00 0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 2. 0.94 1.00 -0.10 -0.20 -0.18 0.11 [73] 0.52 0.02 0.00 0.00 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.078 0.060 0.075 +[31] 0.078 0.061 0.076 [37] C 3. 0.94 1.00 -0.18 -0.19 -0.09 0.11 [73] 0.52 0.00 -0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 4. 0.94 1.00 -0.25 -0.05 -0.16 0.11 [73] 0.52 0.00 0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.076 +[31] 0.076 0.062 0.076 [37] C 5. 0.94 1.00 -0.22 0.00 -0.28 0.11 [73] 0.52 -0.00 -0.00 -0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.062 0.075 [37] C 11. 0.56 1.00 -0.09 -0.06 -0.46 0.12 [73] 0.04 0.00 0.00 -0.03 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.137 0.109 0.132 +[31] 0.137 0.110 0.132 [37] C 12. 0.56 1.00 -0.01 -0.30 -0.15 0.12 [73] 0.04 -0.01 0.03 -0.01 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.108 0.128 +[31] 0.134 0.108 0.128 [37] C 13. 0.56 1.00 -0.19 -0.25 0.04 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.134 0.108 0.131 +[31] 0.135 0.108 0.131 [37] C 14. 0.56 1.00 -0.33 0.00 -0.08 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.136 0.106 0.132 +[31] 0.137 0.106 0.132 [37] C 15. 0.56 1.00 -0.25 0.13 -0.35 0.12 [73] 0.04 0.01 -0.00 0.02 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.105 0.130 +[31] 0.134 0.105 0.130 [37] C 100. 0.25 4.00 -0.15 -0.09 -0.18 0.05 -2.6050 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.25 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [37] C 200. 2.18 4.00 -0.15 -0.09 -0.19 0.06 -0.2304 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.23 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [84] Mean C-C su = 0.08 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12253,8 +12174,8 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.72E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.153 -0.3E+00 0.47 E-01 -3.2 C 1 OCC Composite @@ -12434,15 +12355,15 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [38] Mean -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.015 +[31] 0.020 0.016 0.016 [71] R.M.S. 0. 0.13 0.03 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.074 0.082 0.132 +[31] 0.075 0.083 0.132 [70] Maximum 0. 0.15 0.04 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.171 0.169 0.317 +[31] 0.171 0.169 0.317 [03] Reversals @@ -12487,62 +12408,62 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [37] C 1. 0.79 1.00 -0.13 -0.09 -0.31 0.06 [73] -0.15 -0.00 0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.040 +[31] 0.043 0.034 0.040 [37] C 2. 0.79 1.00 -0.11 -0.21 -0.19 0.06 [73] -0.15 -0.00 -0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.033 0.042 +[31] 0.043 0.033 0.042 [37] C 3. 0.79 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.15 0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 4. 0.79 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.15 -0.00 -0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[31] 0.041 0.033 0.041 [37] C 5. 0.79 1.00 -0.22 0.00 -0.28 0.06 [73] -0.15 -0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.040 +[31] 0.042 0.034 0.041 [37] C 11. 0.45 1.00 -0.08 -0.06 -0.43 0.11 [73] -0.10 0.00 0.00 0.03 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.066 +[31] 0.069 0.054 0.067 [37] C 12. 0.45 1.00 0.00 -0.31 -0.14 0.11 [73] -0.10 0.01 -0.01 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.068 0.056 0.067 +[31] 0.069 0.057 0.067 [37] C 13. 0.45 1.00 -0.18 -0.25 0.05 0.11 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.070 0.056 0.068 [37] C 14. 0.45 1.00 -0.33 0.00 -0.07 0.11 [73] -0.10 0.00 0.00 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.068 +[31] 0.070 0.054 0.068 [37] C 15. 0.45 1.00 -0.25 0.15 -0.36 0.11 [73] -0.10 -0.00 0.01 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.067 +[31] 0.070 0.054 0.068 [37] C 100. 1.02 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.76 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.23 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.72 4.00 -0.16 -0.10 -0.19 0.05 [22] 0.54 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.15 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12631,8 +12552,8 @@ LS-scale= 6.331 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.173 0.1E+01 0.41 E-01 -4.1 C 1 OCC Composite @@ -12790,15 +12711,15 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [38] Mean -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.025 0.024 +[31] 0.030 0.026 0.025 [71] R.M.S. 0. 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.053 0.051 +[31] 0.056 0.053 0.052 [70] Maximum 0. 0.17 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.130 0.084 +[31] 0.119 0.130 0.084 [03] Reversals @@ -12843,62 +12764,62 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 0.62 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.17 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 2. 0.62 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.17 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.024 0.031 +[31] 0.032 0.024 0.031 [37] C 3. 0.62 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.17 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.031 +[31] 0.032 0.025 0.031 [37] C 4. 0.62 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.031 [37] C 5. 0.62 1.00 -0.22 0.00 -0.28 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 11. 0.39 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.06 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.074 0.059 0.072 [37] C 12. 0.39 1.00 0.00 -0.30 -0.13 0.09 [73] -0.06 0.00 0.01 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.39 1.00 -0.17 -0.24 0.05 0.09 [73] -0.06 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.39 1.00 -0.32 0.01 -0.06 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.39 1.00 -0.25 0.15 -0.35 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.074 0.059 0.073 [37] C 100. 1.88 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.86 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.20 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [37] C 200. 3.04 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.31 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.13 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12987,8 +12908,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.104 0.6E+00 0.34 E-01 -2.9 C 1 OCC Composite @@ -13053,12 +12974,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.040 0.037 0.027 +[31] 0.040 0.037 0.027 [70] Maximum 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.075 0.080 0.047 +[31] 0.075 0.080 0.048 [03] Reversals @@ -13103,62 +13024,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.038 0.030 0.037 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 4. 0.51 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.037 +[31] 0.037 0.030 0.037 [37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.037 0.030 0.037 [37] C 11. 0.36 1.00 -0.09 -0.06 -0.44 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.075 0.060 0.073 [37] C 12. 0.36 1.00 0.00 -0.31 -0.14 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.060 0.072 [37] C 13. 0.36 1.00 -0.17 -0.24 0.05 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.36 1.00 -0.32 0.01 -0.06 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.059 0.074 [37] C 15. 0.36 1.00 -0.25 0.15 -0.36 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.060 0.074 [37] C 100. 2.40 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.52 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.11 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13248,8 +13169,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.95E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.95E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13289,12 +13210,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.010 +[31] 0.014 0.016 0.011 [70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.037 0.026 +[31] 0.033 0.037 0.026 [03] Reversals @@ -13339,62 +13260,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.02 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.49 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.49 1.00 -0.22 0.00 -0.28 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.37 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.064 0.078 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.063 0.076 [37] C 13. 0.37 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.37 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.080 0.063 0.078 [37] C 15. 0.37 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.080 0.063 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0468 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13483,8 +13404,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.86E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 Composite Composite @@ -13600,12 +13521,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.017 +[31] 0.018 0.020 0.018 [03] Reversals @@ -13650,62 +13571,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.062 0.076 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.074 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.075 +[31] 0.078 0.062 0.076 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.03 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0202 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13794,8 +13715,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.81E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13839,12 +13760,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.001 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.003 +[31] 0.007 0.009 0.004 [03] Reversals @@ -13889,62 +13810,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.077 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.075 0.061 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0093 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14033,8 +13954,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.59E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -14078,12 +13999,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.007 0.004 [03] Reversals @@ -14128,62 +14049,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.075 0.060 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.074 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14385,7 +14306,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 24 serial number 54 Address 448446 Length 90 Created on + Print list type 24 serial number 54 Address 451290 Length 90 Created on diff --git a/test_suite/INW64GHGUI.org/slant.out b/test_suite/INW64GHGUI.org/slant.out index 7437ca339..ce17458ae 100644 --- a/test_suite/INW64GHGUI.org/slant.out +++ b/test_suite/INW64GHGUI.org/slant.out @@ -595,9 +595,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 8.70 -0.12 0.0 0.02 -0.00 0.00 0.00 -0.00 0.00 -[35] -0.12 6.28 0.0 -0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 8.71 -0.12 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 +[35] -0.12 6.28 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -622,9 +622,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 -0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -643,9 +643,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 diff --git a/test_suite/INW64GHGUI.org/sphere.out b/test_suite/INW64GHGUI.org/sphere.out index d6e69e31d..a847afa49 100644 --- a/test_suite/INW64GHGUI.org/sphere.out +++ b/test_suite/INW64GHGUI.org/sphere.out @@ -398,8 +398,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -439,12 +439,12 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -489,22 +489,22 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -586,8 +586,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -624,15 +624,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -677,22 +677,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -801,8 +801,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.014 0.0E+00 0.592E-02 -2.30 SCALE Composite @@ -850,12 +850,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [03] Reversals @@ -900,22 +900,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -973,8 +973,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.012 -0.1E+01 0.28 E-02 -4.3 O 1 U[33] for 16 parameters @@ -1019,12 +1019,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [03] Reversals @@ -1069,22 +1069,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1166,8 +1166,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1211,12 +1211,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -1261,22 +1261,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1358,8 +1358,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1396,15 +1396,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1449,22 +1449,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1547,8 +1547,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1585,15 +1585,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,22 +1638,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -2134,8 +2134,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2172,15 +2172,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.004 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.004 [03] Reversals @@ -2225,22 +2225,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2322,8 +2322,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2360,15 +2360,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2413,22 +2413,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -2537,8 +2537,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.016 0.0E+00 0.612E-02 -2.66 SCALE Composite @@ -2586,12 +2586,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [03] Reversals @@ -2636,22 +2636,22 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2711,8 +2711,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.02E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.013 -0.1E+01 0.31 E-02 -4.1 O 1 U[33] for 16 parameters @@ -2757,12 +2757,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.009 0.025 +[31] 0.016 0.010 0.025 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.009 0.025 +[31] 0.016 0.010 0.025 [03] Reversals @@ -2807,22 +2807,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2904,8 +2904,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2949,12 +2949,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [03] Reversals @@ -2999,22 +2999,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3096,8 +3096,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3137,12 +3137,12 @@ All cycle Rw 0.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3187,22 +3187,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3285,8 +3285,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3323,15 +3323,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3376,22 +3376,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3872,8 +3872,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3910,15 +3910,15 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [03] Reversals @@ -3963,22 +3963,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4060,8 +4060,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4101,12 +4101,12 @@ All cycle Rw 0.0 8.4 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4151,22 +4151,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -4275,8 +4275,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.79E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.014 0.0E+00 0.590E-02 -2.38 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.11 E-02 9.2 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.44 E-02 2.5 O 1 U[33] @@ -4320,12 +4320,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] -0.05 -0.05 0.09 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [03] Reversals @@ -4370,22 +4370,22 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.010 +[31] 0.013 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4443,8 +4443,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -4493,12 +4493,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 0.00 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.009 0.030 +[31] 0.014 0.010 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.009 0.030 +[31] 0.014 0.010 0.030 [03] Reversals @@ -4543,22 +4543,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4632,8 +4632,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4677,12 +4677,12 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -4727,22 +4727,22 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4824,8 +4824,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.93E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4869,12 +4869,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4919,22 +4919,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5017,8 +5017,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5055,15 +5055,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5108,22 +5108,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -5604,8 +5604,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 Composite Composite @@ -5646,15 +5646,15 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [03] Reversals @@ -5699,22 +5699,22 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.01 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5796,8 +5796,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5841,12 +5841,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5891,22 +5891,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5988,8 +5988,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6026,15 +6026,15 @@ All cycle Rw 0.0 9.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6079,22 +6079,22 @@ All cycle Rw 0.0 9.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -6203,8 +6203,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.78E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.017 0.0E+00 0.610E-02 -2.74 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.0 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.46 E-02 2.5 O 1 U[33] @@ -6248,12 +6248,12 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [03] Reversals @@ -6298,22 +6298,22 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.08 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6373,8 +6373,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.00E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -6423,12 +6423,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 -0.01 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.011 0.033 +[31] 0.016 0.012 0.034 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.011 0.033 +[31] 0.016 0.012 0.034 [03] Reversals @@ -6473,22 +6473,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6564,8 +6564,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6609,12 +6609,12 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [03] Reversals @@ -6659,22 +6659,22 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6753,8 +6753,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6795,15 +6795,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6848,22 +6848,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6946,8 +6946,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6984,15 +6984,15 @@ All cycle Rw 0.0 9.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7037,22 +7037,22 @@ All cycle Rw 0.0 9.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 diff --git a/test_suite/INW64GHGUI.org/td-part.out b/test_suite/INW64GHGUI.org/td-part.out index f6d6c922a..67e3f4efb 100644 --- a/test_suite/INW64GHGUI.org/td-part.out +++ b/test_suite/INW64GHGUI.org/td-part.out @@ -195,8 +195,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -235,15 +235,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -377,8 +377,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -420,15 +420,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -562,8 +562,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -600,15 +600,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30128,8 +30128,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -30168,15 +30168,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30310,8 +30310,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -30353,15 +30353,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30495,8 +30495,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -30533,15 +30533,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals diff --git a/test_suite/INW64GHGUI.org/td-tors.out b/test_suite/INW64GHGUI.org/td-tors.out index cc2c14f3a..e0a5316ab 100644 --- a/test_suite/INW64GHGUI.org/td-tors.out +++ b/test_suite/INW64GHGUI.org/td-tors.out @@ -339,8 +339,8 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.65E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.65E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 2E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -380,12 +380,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.000 +[31] 0.007 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.001 0.000 +[31] 0.013 0.001 0.001 [03] Reversals @@ -430,22 +430,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.004 0.006 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #TORS @@ -464,18 +464,18 @@ O 8 1 1 0 0 0 0.3999 0.0622 0.3236 Variance-covariance matrix of selected atoms (x10^6) -[35] 14.20 -10.62 -3.1 6.24 -1.65 1.35 0.84 1.50 0.48 -[35] -10.62 33.13 3.7 -1.53 9.25 0.64 -1.43 -0.60 -4.49 -[35] -3.11 3.70 7.8 1.18 0.58 5.17 4.90 -0.37 6.40 -[35] 6.24 -1.53 1.1 5.02 -0.25 1.89 4.12 0.21 1.71 -[35] -1.65 9.25 0.5 -0.25 5.50 0.12 -0.18 3.79 -0.73 -[35] 1.35 0.64 5.1 1.89 0.12 4.85 2.32 -0.09 4.94 -[35] 0.84 -1.43 4.9 4.12 -0.18 2.32 9.92 -1.65 4.26 -[35] 1.50 -0.60 -0.3 0.21 3.79 -0.09 -1.65 9.74 2.16 -[35] 0.48 -4.49 6.4 1.71 -0.73 4.94 4.26 2.16 7.66 -[35] 5.43 5.48 0.8 4.96 0.76 1.87 0.88 1.07 0.13 -[35] 2.28 0.22 -0.9 0.27 4.25 -0.06 2.28 1.27 -0.68 -[35] 5.83 3.28 1.7 2.63 0.61 4.51 -1.70 -2.11 1.04 +[35] 14.20 -10.62 -3.11 6.25 -1.66 1.35 0.84 1.50 0.48 +[35] -10.62 33.14 3.71 -1.54 9.26 0.64 -1.43 -0.60 -4.50 +[35] -3.11 3.71 7.84 1.19 0.59 5.17 4.90 -0.37 6.41 +[35] 6.25 -1.54 1.19 5.02 -0.26 1.89 4.12 0.21 1.72 +[35] -1.66 9.26 0.59 -0.26 5.51 0.13 -0.19 3.80 -0.74 +[35] 1.35 0.64 5.17 1.89 0.13 4.86 2.32 -0.09 4.94 +[35] 0.84 -1.43 4.90 4.12 -0.19 2.32 9.92 -1.65 4.27 +[35] 1.50 -0.60 -0.37 0.21 3.80 -0.09 -1.65 9.75 2.16 +[35] 0.48 -4.50 6.41 1.72 -0.74 4.94 4.27 2.16 7.67 +[35] 5.43 5.48 0.83 4.96 0.76 1.88 0.89 1.08 0.13 +[35] 2.28 0.23 -0.92 0.28 4.25 -0.06 2.29 1.27 -0.69 +[35] 5.84 3.29 1.78 2.63 0.62 4.52 -1.71 -2.11 1.05 @@ -572,11 +572,11 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.58E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.58E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 Inversion method: Automatic -Block No 2. Single precision relative error: 3.90E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.90E-07 +[80a] Block No 2. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 52 parameters [64] The rms (shift/su) = 0. @@ -616,12 +616,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [03] Reversals @@ -666,52 +666,52 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] CU 1. 1.00 0.00 0.44 -0.08 0.54 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] O 2. 1.00 0.00 0.40 0.12 0.57 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.43 0.25 0.55 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] O 4. 1.00 0.00 0.49 0.26 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.39 0.39 0.58 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] O 10. 1.00 0.00 0.37 -0.20 0.63 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.000 0.000 +[31] 0.004 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #USE TORSION.DAT @@ -748,18 +748,18 @@ O 10 1 1 0 1 0 0.3764 0.7910 0.6334 Variance-covariance matrix of selected atoms (x10^6) -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 diff --git a/test_suite/INW64GHGUI.org/td_rest.out b/test_suite/INW64GHGUI.org/td_rest.out index b8c43d7e8..d6582f9c5 100644 --- a/test_suite/INW64GHGUI.org/td_rest.out +++ b/test_suite/INW64GHGUI.org/td_rest.out @@ -500,8 +500,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -539,15 +539,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -592,12 +592,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -814,8 +814,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -853,15 +853,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -906,12 +906,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1062,8 +1062,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1100,15 +1100,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1153,12 +1153,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1298,8 +1298,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1336,15 +1336,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1389,12 +1389,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1545,8 +1545,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.52E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.52E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 7 7 -0.025 0.0E+00 0.13 E-02 -18.8 C 7 U[11] [14] S/ESD 12 12 -0.011 0.0E+00 0.13 E-02 -8.3 C 7 U[12] @@ -1585,15 +1585,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,12 +1638,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1798,8 +1798,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.85E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 1 1 0.023 0.0E+00 0.12 E-02 18.1 O 6 U[11] [14] S/ESD 6 6 0.010 0.0E+00 0.12 E-02 8.0 O 6 U[12] @@ -1838,15 +1838,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1891,12 +1891,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.08 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2047,8 +2047,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9.36E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2085,15 +2085,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2138,12 +2138,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2283,8 +2283,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.93E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2321,15 +2321,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2374,12 +2374,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2532,10 +2532,10 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.56E-03 +[80a] Block No 1. Single precision relative error: 4E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 6.64E-12 -[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 6.64E-12 +[80a] Block No 1. Double precision relative error: 7E-12 +[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 7E-12 for 6 parameters [64] The rms (shift/su) = 0. @@ -2575,12 +2575,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.021 +[31] 0.011 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.027 +[31] 0.014 0.018 0.027 [03] Reversals @@ -2625,12 +2625,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.105 0.091 0.079 +[31] 0.105 0.091 0.080 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.124 0.108 0.081 +[31] 0.124 0.109 0.081 [84] Mean C-C su = 0.09 #CYCLENDS #CHECK HI @@ -2755,8 +2755,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.44E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6.44E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2796,12 +2796,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 -0.01 -0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.016 0.030 +[31] 0.011 0.017 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.023 0.041 +[31] 0.015 0.023 0.042 [03] Reversals @@ -2846,12 +2846,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.108 0.092 0.097 +[31] 0.108 0.093 0.097 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.106 0.047 +[31] 0.119 0.107 0.048 [84] Mean C-C su = 0.09 #CYCLENDS #SFLS @@ -2934,8 +2934,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.78E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 6.78E-04 +[80a] Block No 1. Single precision relative error: 7E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 7E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2975,12 +2975,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.001 0.006 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.002 0.008 +[31] 0.006 0.002 0.009 [03] Reversals @@ -3025,12 +3025,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.021 +[31] 0.024 0.021 0.022 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.024 0.010 +[31] 0.027 0.024 0.011 [84] Mean C-C su = 0.02 #CYCLENDS #CHECK HI diff --git a/test_suite/INW64GHGUI.org/test-rest.out b/test_suite/INW64GHGUI.org/test-rest.out index 6a9f0d51c..54968cc2b 100644 --- a/test_suite/INW64GHGUI.org/test-rest.out +++ b/test_suite/INW64GHGUI.org/test-rest.out @@ -308,8 +308,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.11E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 for 131 parameters [64] The rms (shift/su) = 1. @@ -349,12 +349,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.006 0.007 +[31] 0.014 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.016 0.015 +[31] 0.036 0.017 0.016 [03] Reversals @@ -399,102 +399,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.019 +[31] 0.023 0.022 0.019 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.027 0.026 0.025 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.024 0.024 +[31] 0.026 0.025 0.025 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.034 0.033 0.033 +[31] 0.034 0.033 0.034 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.027 +[31] 0.025 0.025 0.028 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.029 0.031 +[31] 0.033 0.030 0.032 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.032 +[31] 0.036 0.037 0.032 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.036 0.035 0.033 +[31] 0.037 0.035 0.034 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.017 +[31] 0.017 0.023 0.018 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -768,8 +768,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.45E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.45E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 121 parameters [64] The rms (shift/su) = 0. @@ -809,12 +809,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.007 0.006 +[31] 0.014 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.016 0.013 +[31] 0.037 0.017 0.013 [03] Reversals @@ -859,102 +859,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.017 +[31] 0.021 0.020 0.017 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.023 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.022 0.022 +[31] 0.023 0.022 0.022 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.029 +[31] 0.030 0.030 0.030 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.024 +[31] 0.022 0.022 0.025 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.026 0.028 +[31] 0.029 0.026 0.028 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.031 0.032 0.028 +[31] 0.032 0.033 0.029 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.030 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.015 +[31] 0.015 0.021 0.016 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -1134,8 +1134,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-04 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3.01E-04 +[80a] Block No 1. Single precision relative error: 3E-04 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3E-04 [14] S/ESD 98 98 -0.010 0.1E+01 0.10 E-01 -1.0 H 101 X for 121 parameters @@ -1176,12 +1176,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.013 0.021 +[31] 0.023 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.050 0.043 0.081 +[31] 0.050 0.044 0.081 [03] Reversals @@ -1226,102 +1226,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.003 0.004 0.004 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.007 0.003 0.013 +[31] 0.008 0.003 0.014 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.038 0.036 0.037 +[31] 0.038 0.037 0.037 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.037 0.036 0.035 +[31] 0.037 0.036 0.036 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.01 0.00 0.00 0.01 -[31] 0.049 0.047 0.048 +[31] 0.050 0.048 0.049 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.039 +[31] 0.036 0.036 0.040 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.017 0.027 0.036 +[31] 0.017 0.028 0.036 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.025 0.030 +[31] 0.031 0.026 0.030 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.028 0.025 0.039 +[31] 0.028 0.025 0.040 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.034 0.034 +[31] 0.035 0.034 0.034 [84] Mean C-C su = 0.00 #CYCLENDS #END diff --git a/test_suite/INW64GHGUI.org/test1.out b/test_suite/INW64GHGUI.org/test1.out index 2f6ccb859..c628d3354 100644 --- a/test_suite/INW64GHGUI.org/test1.out +++ b/test_suite/INW64GHGUI.org/test1.out @@ -469,8 +469,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +510,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +560,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +692,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +737,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +787,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +919,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +957,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1010,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1155,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1199,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1249,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1381,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1426,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1476,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1608,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1653,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1703,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1835,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1877,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1930,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2077,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2130,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2183,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2315,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2361,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2414,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3967,8 +3967,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.83E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4008,12 +4008,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -4058,57 +4058,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4190,8 +4190,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.78E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4235,12 +4235,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -4285,57 +4285,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4417,8 +4417,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4462,12 +4462,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4512,57 +4512,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4657,8 +4657,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.025 0.0E+00 0.143E-01 1.76 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.7 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.0 N 6 U[ISO] @@ -4701,12 +4701,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4751,57 +4751,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4883,8 +4883,8 @@ LS-scale= 1.482 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -4928,12 +4928,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4978,57 +4978,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5110,8 +5110,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5155,12 +5155,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -5205,57 +5205,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5337,8 +5337,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5379,15 +5379,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -5432,57 +5432,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5579,8 +5579,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1E-05 S/ESD 1 1 0.023 0.0E+00 0.140E-01 1.62 SCALE [13] LARGE 2 2 46.8 0.0E+00 0.9 E+01 4.8 EXTPARAM [14] S/ESD 15 15 0.019 0.0E+00 0.38 E-02 5.0 O 3 U[11] @@ -5633,15 +5633,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 23.43 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 33. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 46. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5686,57 +5686,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5818,8 +5818,8 @@ LS-scale= 1.510 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.24E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.24E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 S/ESD 1 1 0.020 0.9E+00 0.128E-01 1.59 SCALE [44] Resetting shift for Extinction Shift= 46.0 Esd= 9.6 New shift= 9.37 [13] LARGE 2 2 9.3 0.1E+01 0.9 E+01 4.7 EXTPARAM @@ -5863,15 +5863,15 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [38] Mean 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 6. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 9. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5916,57 +5916,57 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -6474,8 +6474,8 @@ LS-scale= 1.531 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.034 0.0E+00 0.111E-01 -3.06 SCALE [14] S/ESD 22 22 -0.041 0.0E+00 0.41 E-02 -10.1 C 4 U[ISO] [14] S/ESD 43 43 0.010 0.0E+00 0.11 E-02 8.6 O 8 U[ISO] @@ -6515,15 +6515,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.002 0.001 +[31] -0.000 0.003 0.001 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.009 +[31] 0.006 0.006 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.017 +[31] 0.012 0.013 0.017 [03] Reversals @@ -6568,57 +6568,57 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.03 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.010 0.009 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6700,8 +6700,8 @@ LS-scale= 1.497 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.28E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6742,15 +6742,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.007 +[31] 0.002 0.004 0.008 [03] Reversals @@ -6795,57 +6795,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6927,8 +6927,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.27E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6972,12 +6972,12 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.001 [03] Reversals @@ -7022,57 +7022,57 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -7483,8 +7483,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -7525,12 +7525,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -7575,57 +7575,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -7707,8 +7707,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7752,12 +7752,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -7802,57 +7802,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7934,8 +7934,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7979,12 +7979,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -8029,57 +8029,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8174,8 +8174,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -8217,12 +8217,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -8267,57 +8267,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8399,8 +8399,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8444,12 +8444,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8494,57 +8494,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8626,8 +8626,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8671,12 +8671,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -8721,57 +8721,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8853,8 +8853,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8891,15 +8891,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8944,57 +8944,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9091,8 +9091,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -9146,15 +9146,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9199,57 +9199,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9331,8 +9331,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -9377,15 +9377,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9430,57 +9430,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -9983,8 +9983,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -10023,15 +10023,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -10076,57 +10076,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10208,8 +10208,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10250,15 +10250,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -10303,57 +10303,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10435,8 +10435,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10480,12 +10480,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -10530,57 +10530,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -10991,8 +10991,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -11033,12 +11033,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -11083,57 +11083,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -11215,8 +11215,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11260,12 +11260,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -11310,57 +11310,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11442,8 +11442,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11487,12 +11487,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -11537,57 +11537,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11682,8 +11682,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -11725,12 +11725,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -11775,57 +11775,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11907,8 +11907,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -11952,12 +11952,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -12002,57 +12002,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12134,8 +12134,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12179,12 +12179,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -12229,57 +12229,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12361,8 +12361,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12399,15 +12399,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12452,57 +12452,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -12599,8 +12599,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -12654,15 +12654,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12707,57 +12707,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12839,8 +12839,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -12885,15 +12885,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12938,57 +12938,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -13491,8 +13491,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -13531,15 +13531,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -13584,57 +13584,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13716,8 +13716,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13758,15 +13758,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -13811,57 +13811,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13943,8 +13943,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13988,12 +13988,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14038,57 +14038,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/INW64GHGUI.org/test2.out b/test_suite/INW64GHGUI.org/test2.out index 348315948..913ab4d76 100644 --- a/test_suite/INW64GHGUI.org/test2.out +++ b/test_suite/INW64GHGUI.org/test2.out @@ -905,8 +905,8 @@ LS-scale= 4.136 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.82E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.82E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 [13] LARGE 1 1 1.4 0.0E+00 0.3 E+00 3.7 SCALE for 41 parameters @@ -944,15 +944,15 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [38] Mean 1.41 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.000 0.007 +[31] -0.001 0.001 0.008 [71] R.M.S. 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.036 0.021 +[31] 0.019 0.036 0.022 [70] Maximum 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.089 0.046 +[31] 0.041 0.089 0.047 [03] Reversals @@ -997,52 +997,52 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.015 +[31] 0.016 0.014 0.015 [37] C 9. 1.00 1.00 0.01 0.09 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.025 0.023 0.022 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1124,8 +1124,8 @@ LS-scale= 4.303 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.25E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.25E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1169,12 +1169,12 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.004 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.015 +[31] 0.010 0.015 0.015 [03] Reversals @@ -1219,52 +1219,52 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.02 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.019 +[31] 0.021 0.020 0.019 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1346,8 +1346,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1388,15 +1388,15 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.001 0.003 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.006 0.002 +[31] 0.001 0.007 0.002 [03] Reversals @@ -1441,52 +1441,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1568,8 +1568,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1613,12 +1613,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -1663,52 +1663,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1790,8 +1790,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1828,15 +1828,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -1881,52 +1881,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2009,8 +2009,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -2047,15 +2047,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2100,52 +2100,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -2242,8 +2242,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.26E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.26E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 42 42 0.010 0.0E+00 0.60 E-02 1.7 C 5 U[22] [14] S/ESD 52 52 -0.010 0.0E+00 0.58 E-02 -1.7 C 6 U[33] [14] S/ESD 59 59 0.022 0.0E+00 0.66 E-02 3.3 C 7 U[11] @@ -2295,12 +2295,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.03 0.01 0.01 0.01 0.01 -[31] 0.012 0.005 0.003 +[31] 0.012 0.006 0.004 [03] Reversals @@ -2345,52 +2345,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.03 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2472,8 +2472,8 @@ LS-scale= 4.287 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.36E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 78 78 0.019 0.5E+00 0.12 E-01 1.5 C 9 U[22] for 91 parameters @@ -2518,12 +2518,12 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.007 [03] Reversals @@ -2568,52 +2568,52 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.012 +[31] 0.015 0.012 0.012 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.013 0.014 0.011 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.016 +[31] 0.014 0.020 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2695,8 +2695,8 @@ LS-scale= 4.308 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2740,12 +2740,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.002 0.004 0.003 [03] Reversals @@ -2790,52 +2790,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.022 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2917,8 +2917,8 @@ LS-scale= 4.311 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2962,12 +2962,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [03] Reversals @@ -3012,52 +3012,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3139,8 +3139,8 @@ LS-scale= 4.312 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.38E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.38E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -3180,12 +3180,12 @@ All cycle Rw 0.0 44. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -3230,52 +3230,52 @@ All cycle Rw 0.0 44. 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -3298,36 +3298,36 @@ All cycle Rw 0.0 44. 0.10E+03 Reflections with greatest unexpected extra intensity: h k l (Fo2-Fc2)/s Fo^2 Fc^2 Sigma -[94] 1 5 2 56.18 2883.1 8. 51.2 -[94] 2 3 4 54.41 7139.2 294. 125.8 -[94] 0 1 3 53.85 1068.6 3. 19.8 -[94] 1 4 0 51.95 14475.9 1210. 255.3 -[94] 2 2 1 51.48 1019.6 161. 16.7 -[94] -1 3 2 49.97 27836.6 21. 556.6 -[94] 2 1 5 49.85 3549.5 334. 64.5 -[94] 1 1 7 49.63 1803.8 10. 36.1 -[94] -1 3 1 48.26 16032.5 49. 331.2 -[94] 1 2 4 48.04 7929.7 315. 158.5 -[94] 4 2 2 47.95 3638.6 18. 75.5 -[94] 1 6 0 46.90 1748.1 476. 27.1 -[94] 1 7 3 46.43 4585.1 7. 98.6 -[94] -1 4 4 45.81 2768.0 249. 55.0 -[94] 1 4 5 45.35 2854.0 6. 62.8 -[94] 1 7 1 45.31 5566.9 195. 118.5 -[94] 1 3 6 45.25 10318.9 1924. 185.5 -[94] -1 5 1 45.05 1132.8 176. 21.2 -[94] 2 1 3 42.93 4017.0 1240. 64.7 -[94] 3 2 1 42.93 18145.0 5482. 295.0 -[94] 3 1 1 42.73 10184.8 3721. 151.3 -[94] -1 7 3 41.11 3420.5 628. 67.9 -[94] 1 3 2 40.51 21453.3 8853. 311.1 -[94] 3 1 7 39.98 2458.5 93. 59.1 -[94] -2 1 4 39.49 6914.0 13. 174.7 -[94] 3 3 6 39.35 9058.6 218. 224.7 -[94] -1 1 6 39.09 16077.7 3226. 328.7 -[94] -1 4 3 39.09 27203.2 6960. 517.8 -[94] 5 1 0 39.07 4400.8 544. 98.7 -[94] -2 1 2 38.92 5904.6 1166. 121.7 +[94] 1 5 2 56.18 2883.1 9 51.2 +[94] 2 3 4 54.41 7139.2 294 125.8 +[94] 0 1 3 53.85 1068.6 3 19.8 +[94] 1 4 0 51.95 14475.9 1210 255.3 +[94] 2 2 1 51.48 1019.6 161 16.7 +[94] -1 3 2 49.97 27836.6 21 556.6 +[94] 2 1 5 49.85 3549.5 334 64.5 +[94] 1 1 7 49.63 1803.8 11 36.1 +[94] -1 3 1 48.26 16032.5 49 331.2 +[94] 1 2 4 48.04 7929.7 315 158.5 +[94] 4 2 2 47.95 3638.6 19 75.5 +[94] 1 6 0 46.90 1748.1 477 27.1 +[94] 1 7 3 46.43 4585.1 8 98.6 +[94] -1 4 4 45.81 2768.0 250 55.0 +[94] 1 4 5 45.35 2854.0 6 62.8 +[94] 1 7 1 45.31 5566.9 195 118.5 +[94] 1 3 6 45.25 10318.9 1924 185.5 +[94] -1 5 1 45.05 1132.8 177 21.2 +[94] 2 1 3 42.93 4017.0 1241 64.7 +[94] 3 2 1 42.93 18145.0 5483 295.0 +[94] 3 1 1 42.73 10184.8 3721 151.3 +[94] -1 7 3 41.11 3420.5 628 67.9 +[94] 1 3 2 40.51 21453.3 8854 311.1 +[94] 3 1 7 39.98 2458.5 94 59.1 +[94] -2 1 4 39.49 6914.0 14 174.7 +[94] 3 3 6 39.35 9058.6 218 224.7 +[94] -1 1 6 39.09 16077.7 3227 328.7 +[94] -1 4 3 39.09 27203.2 6961 517.8 +[94] 5 1 0 39.07 4400.8 544 98.7 +[94] -2 1 2 38.92 5904.6 1166 121.7 Each set of indices above is transformed by the printed rotation matrix. How far the transformed indices are @@ -3714,8 +3714,8 @@ LS-scale= 4.747 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 2 @@ -3757,12 +3757,12 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.018 +[31] 0.020 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.028 0.038 +[31] 0.042 0.028 0.038 [03] Reversals @@ -3818,52 +3818,52 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.012 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3945,8 +3945,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 1 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 2 @@ -3992,12 +3992,12 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -4053,52 +4053,52 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4180,8 +4180,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4225,12 +4225,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -4286,52 +4286,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4413,8 +4413,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4458,12 +4458,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -4519,52 +4519,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4646,8 +4646,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4688,15 +4688,15 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -4752,52 +4752,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -4904,8 +4904,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 1. @@ -4945,12 +4945,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [03] Reversals @@ -5006,52 +5006,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5133,8 +5133,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5175,15 +5175,15 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -5239,52 +5239,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5366,8 +5366,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5404,15 +5404,15 @@ All cycle Rw 0.0 18. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5468,52 +5468,52 @@ All cycle Rw 0.0 18. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -5621,8 +5621,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.7 C 9 U[ISO] for 47 parameters @@ -5663,12 +5663,12 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.005 +[31] 0.009 0.006 0.005 [03] Reversals @@ -5724,52 +5724,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5851,8 +5851,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -5893,15 +5893,15 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -5957,52 +5957,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6084,8 +6084,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6126,15 +6126,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6190,52 +6190,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6317,8 +6317,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6359,15 +6359,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6423,52 +6423,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6550,8 +6550,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6592,15 +6592,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6656,52 +6656,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -6809,8 +6809,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.026 0.0E+00 0.28 E-02 9.3 C 7 U[11] [14] S/ESD 60 60 -0.015 0.0E+00 0.28 E-02 -5.3 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -6861,12 +6861,12 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.005 0.003 +[31] 0.004 0.006 0.003 [03] Reversals @@ -6922,52 +6922,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.03 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7049,8 +7049,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.89E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 5.0 C 7 U[11] [14] S/ESD 78 78 0.015 0.5E+00 0.32 E-02 4.8 C 9 U[22] @@ -7096,12 +7096,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -7157,52 +7157,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7284,8 +7284,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.69E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.69E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7329,12 +7329,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -7390,52 +7390,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7517,8 +7517,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.93E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.93E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7562,12 +7562,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -7623,52 +7623,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7750,8 +7750,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.99E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.99E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7792,15 +7792,15 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7856,52 +7856,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -8225,8 +8225,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.89E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.024 0.0E+00 0.964E-02 -2.47 SCALE for 92 parameters @@ -8267,12 +8267,12 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.006 +[31] 0.010 0.011 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.025 0.016 +[31] 0.018 0.025 0.016 [03] Reversals @@ -8328,52 +8328,52 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8455,8 +8455,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.34 SCALE for 92 parameters @@ -8501,12 +8501,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -8562,52 +8562,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8689,8 +8689,8 @@ LS-scale= 4.743 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.29 SCALE for 92 parameters @@ -8732,15 +8732,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8796,52 +8796,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8923,8 +8923,8 @@ LS-scale= 4.739 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.031 0.1E+01 0.960E-02 -3.23 SCALE for 92 parameters @@ -8966,15 +8966,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9030,52 +9030,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9157,8 +9157,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.030 0.1E+01 0.960E-02 -3.17 SCALE for 92 parameters @@ -9200,15 +9200,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9264,52 +9264,52 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -9657,8 +9657,8 @@ LS-scale= 4.733 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.20E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.20E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.5E+00 0.965E-02 -1.68 SCALE for 92 parameters @@ -9696,15 +9696,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.002 [03] Reversals @@ -9760,52 +9760,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9887,8 +9887,8 @@ LS-scale= 4.731 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.97E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.97E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.70 SCALE for 92 parameters @@ -9930,15 +9930,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9994,52 +9994,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10121,8 +10121,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.67 SCALE for 92 parameters @@ -10164,15 +10164,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10228,52 +10228,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10355,8 +10355,8 @@ LS-scale= 4.728 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.64 SCALE for 92 parameters @@ -10398,15 +10398,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10462,52 +10462,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10589,8 +10589,8 @@ LS-scale= 4.726 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.62 SCALE for 92 parameters @@ -10632,15 +10632,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10696,52 +10696,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10978,8 +10978,8 @@ LS-scale= 4.724 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.59 SCALE for 92 parameters @@ -11017,15 +11017,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11081,52 +11081,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11209,8 +11209,8 @@ LS-scale= 4.723 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.56 SCALE for 92 parameters @@ -11248,15 +11248,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11312,52 +11312,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11440,8 +11440,8 @@ LS-scale= 4.721 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.53 SCALE for 92 parameters @@ -11479,15 +11479,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11543,52 +11543,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11671,8 +11671,8 @@ LS-scale= 4.720 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.51 SCALE for 92 parameters @@ -11710,15 +11710,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11774,52 +11774,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11902,8 +11902,8 @@ LS-scale= 4.718 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.48 SCALE for 92 parameters @@ -11941,15 +11941,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12005,52 +12005,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12133,8 +12133,8 @@ LS-scale= 4.717 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.45 SCALE for 92 parameters @@ -12172,15 +12172,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12236,52 +12236,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12872,8 +12872,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.11E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.13 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -12916,12 +12916,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -12977,52 +12977,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13104,8 +13104,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.85E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.62 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 2 @@ -13152,12 +13152,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.007 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.005 +[31] 0.019 0.004 0.005 [03] Reversals @@ -13213,52 +13213,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13340,8 +13340,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.67 SCALE for 32 parameters @@ -13386,12 +13386,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.002 0.002 [03] Reversals @@ -13447,52 +13447,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13574,8 +13574,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.83E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.44 SCALE for 32 parameters @@ -13620,12 +13620,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -13681,52 +13681,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13808,8 +13808,8 @@ LS-scale= 4.843 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -13850,15 +13850,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -13914,52 +13914,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -14066,8 +14066,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.08 SCALE for 33 parameters @@ -14105,15 +14105,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14169,52 +14169,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14296,8 +14296,8 @@ LS-scale= 4.831 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.51 SCALE for 33 parameters @@ -14339,15 +14339,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -14403,52 +14403,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14530,8 +14530,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14572,15 +14572,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14636,52 +14636,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14763,8 +14763,8 @@ LS-scale= 4.810 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14805,15 +14805,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14869,52 +14869,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14996,8 +14996,8 @@ LS-scale= 4.804 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -15038,15 +15038,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15102,52 +15102,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -15255,8 +15255,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.4 C 9 U[ISO] @@ -15298,12 +15298,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [03] Reversals @@ -15359,52 +15359,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15486,8 +15486,8 @@ LS-scale= 4.781 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -15532,12 +15532,12 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -15593,52 +15593,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15720,8 +15720,8 @@ LS-scale= 4.764 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -15763,15 +15763,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -15827,52 +15827,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15954,8 +15954,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -15996,15 +15996,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -16060,52 +16060,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16187,8 +16187,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -16229,15 +16229,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16293,52 +16293,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -16446,8 +16446,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.02E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.02E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.7 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -16497,12 +16497,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.003 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -16558,52 +16558,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16685,8 +16685,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.65E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.65E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.5 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -16732,12 +16732,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.002 [03] Reversals @@ -16793,52 +16793,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16920,8 +16920,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -16965,12 +16965,12 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -17026,52 +17026,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17153,8 +17153,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17198,12 +17198,12 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -17259,52 +17259,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17386,8 +17386,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.61E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.61E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17424,15 +17424,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17488,52 +17488,52 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -17857,8 +17857,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.50E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.50E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.18 SCALE for 92 parameters @@ -17899,12 +17899,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -17960,52 +17960,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18087,8 +18087,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.70E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.70E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.04 SCALE for 92 parameters @@ -18130,15 +18130,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -18194,52 +18194,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18321,8 +18321,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.78E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.78E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18363,15 +18363,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -18427,52 +18427,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18554,8 +18554,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18596,15 +18596,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18660,52 +18660,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18787,8 +18787,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18825,15 +18825,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18889,52 +18889,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -19282,8 +19282,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19323,12 +19323,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -19384,52 +19384,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19511,8 +19511,8 @@ LS-scale= 4.637 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19553,15 +19553,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19617,52 +19617,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19744,8 +19744,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19782,15 +19782,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19846,52 +19846,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20128,8 +20128,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20166,15 +20166,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20230,52 +20230,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20358,8 +20358,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20396,15 +20396,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20460,52 +20460,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20588,8 +20588,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20626,15 +20626,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20690,52 +20690,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20818,8 +20818,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20856,15 +20856,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20920,52 +20920,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21048,8 +21048,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21086,15 +21086,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21150,52 +21150,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21278,8 +21278,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21316,15 +21316,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21380,52 +21380,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21965,8 +21965,8 @@ LS-scale= 4.646 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.30E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.30E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.0E+00 0.989E-02 1.01 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 2 @@ -22009,12 +22009,12 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.017 +[31] 0.021 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.028 0.036 +[31] 0.043 0.028 0.036 [03] Reversals @@ -22070,52 +22070,52 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.011 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22197,8 +22197,8 @@ LS-scale= 4.647 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.49 SCALE S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 1 S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 2 @@ -22245,12 +22245,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -22306,52 +22306,52 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22433,8 +22433,8 @@ LS-scale= 4.649 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.53 SCALE for 32 parameters @@ -22479,12 +22479,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -22540,52 +22540,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22667,8 +22667,8 @@ LS-scale= 4.650 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.52 SCALE for 32 parameters @@ -22713,12 +22713,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -22774,52 +22774,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22901,8 +22901,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.50 SCALE for 32 parameters @@ -22944,15 +22944,15 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -23008,52 +23008,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -23160,8 +23160,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 2. @@ -23201,12 +23201,12 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -23262,52 +23262,52 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23389,8 +23389,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.20E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.20E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23431,15 +23431,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -23495,52 +23495,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23622,8 +23622,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23664,15 +23664,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23728,52 +23728,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23855,8 +23855,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23897,15 +23897,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23961,52 +23961,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24088,8 +24088,8 @@ LS-scale= 4.656 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -24130,15 +24130,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -24194,52 +24194,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -24347,8 +24347,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.66E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.020 0.0E+00 0.21 E-02 -9.5 C 9 U[ISO] for 47 parameters @@ -24389,12 +24389,12 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.002 [70] Maximum 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.011 0.007 0.006 [03] Reversals @@ -24450,52 +24450,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 -0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24577,8 +24577,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24619,15 +24619,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.004 0.004 0.002 [03] Reversals @@ -24683,52 +24683,52 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24810,8 +24810,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.08E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.08E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24852,15 +24852,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -24916,52 +24916,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25043,8 +25043,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25085,15 +25085,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25149,52 +25149,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25276,8 +25276,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25318,15 +25318,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25382,52 +25382,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -25535,8 +25535,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.28 E-02 9.1 C 7 U[11] [14] S/ESD 60 60 -0.014 0.0E+00 0.28 E-02 -5.2 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -25587,12 +25587,12 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.006 0.003 +[31] 0.004 0.006 0.004 [03] Reversals @@ -25648,52 +25648,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25775,8 +25775,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.91E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.91E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 4.8 C 7 U[11] [14] S/ESD 78 78 0.015 0.4E+00 0.31 E-02 4.7 C 9 U[22] @@ -25822,12 +25822,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -25883,52 +25883,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26010,8 +26010,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.64E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.64E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26055,12 +26055,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -26116,52 +26116,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26243,8 +26243,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.87E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.87E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26288,12 +26288,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -26349,52 +26349,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26476,8 +26476,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.92E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.92E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26518,15 +26518,15 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -26582,52 +26582,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -26951,8 +26951,8 @@ LS-scale= 4.660 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.94E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.94E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 2. @@ -26992,12 +26992,12 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.015 +[31] 0.017 0.024 0.015 [03] Reversals @@ -27053,52 +27053,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27180,8 +27180,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.15 SCALE for 92 parameters @@ -27226,12 +27226,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -27287,52 +27287,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27414,8 +27414,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.11 SCALE for 92 parameters @@ -27457,15 +27457,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27521,52 +27521,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27648,8 +27648,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.957E-02 -1.07 SCALE for 92 parameters @@ -27691,15 +27691,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27755,52 +27755,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27882,8 +27882,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.956E-02 -1.04 SCALE for 92 parameters @@ -27925,15 +27925,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27989,52 +27989,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -28386,8 +28386,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.21E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.21E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28427,12 +28427,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -28488,52 +28488,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28615,8 +28615,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.03E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.03E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28657,15 +28657,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28721,52 +28721,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28848,8 +28848,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28890,15 +28890,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28954,52 +28954,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29081,8 +29081,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29123,15 +29123,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29187,52 +29187,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29314,8 +29314,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29356,15 +29356,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29420,52 +29420,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29702,8 +29702,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29740,15 +29740,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29804,52 +29804,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29932,8 +29932,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29970,15 +29970,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30034,52 +30034,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30162,8 +30162,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30200,15 +30200,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30264,52 +30264,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30392,8 +30392,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30430,15 +30430,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30494,52 +30494,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30622,8 +30622,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30660,15 +30660,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30724,52 +30724,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30852,8 +30852,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30890,15 +30890,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30954,52 +30954,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -31540,8 +31540,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.09E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.11 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -31584,12 +31584,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -31645,52 +31645,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31772,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.89E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.60 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 2 @@ -31820,12 +31820,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.008 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.004 +[31] 0.018 0.004 0.005 [03] Reversals @@ -31881,52 +31881,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32008,8 +32008,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.86E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.86E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.65 SCALE for 32 parameters @@ -32054,12 +32054,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -32115,52 +32115,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32242,8 +32242,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.43 SCALE for 32 parameters @@ -32288,12 +32288,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -32349,52 +32349,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32476,8 +32476,8 @@ LS-scale= 4.842 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -32518,15 +32518,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -32582,52 +32582,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -32734,8 +32734,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.07 SCALE for 33 parameters @@ -32773,15 +32773,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32837,52 +32837,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32964,8 +32964,8 @@ LS-scale= 4.830 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.48E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.48E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.50 SCALE for 33 parameters @@ -33007,15 +33007,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -33071,52 +33071,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33198,8 +33198,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33240,15 +33240,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33304,52 +33304,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33431,8 +33431,8 @@ LS-scale= 4.809 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33473,15 +33473,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33537,52 +33537,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33664,8 +33664,8 @@ LS-scale= 4.803 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33706,15 +33706,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33770,52 +33770,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -33923,8 +33923,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.5 C 9 U[ISO] @@ -33966,12 +33966,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.004 0.005 +[31] 0.010 0.005 0.005 [03] Reversals @@ -34027,52 +34027,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34154,8 +34154,8 @@ LS-scale= 4.780 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -34197,15 +34197,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.001 +[31] 0.004 0.003 0.001 [03] Reversals @@ -34261,52 +34261,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34388,8 +34388,8 @@ LS-scale= 4.763 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -34431,15 +34431,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -34495,52 +34495,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34622,8 +34622,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34664,15 +34664,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -34728,52 +34728,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34855,8 +34855,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34897,15 +34897,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -34961,52 +34961,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -35114,8 +35114,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.03E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.03E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.6 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -35165,12 +35165,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.004 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -35226,52 +35226,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35353,8 +35353,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.66E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.66E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.4 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -35400,12 +35400,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.003 [03] Reversals @@ -35461,52 +35461,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35588,8 +35588,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35630,15 +35630,15 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.002 0.002 0.001 [03] Reversals @@ -35694,52 +35694,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35821,8 +35821,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35863,15 +35863,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -35927,52 +35927,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36054,8 +36054,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.62E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.62E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -36092,15 +36092,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -36156,52 +36156,52 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -36525,8 +36525,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.51E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 9E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.16 SCALE for 92 parameters @@ -36567,12 +36567,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -36628,52 +36628,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36755,8 +36755,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.71E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.71E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.03 SCALE for 92 parameters @@ -36798,15 +36798,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -36862,52 +36862,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36989,8 +36989,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37031,15 +37031,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37095,52 +37095,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37222,8 +37222,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37264,15 +37264,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37328,52 +37328,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37455,8 +37455,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37493,15 +37493,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37557,52 +37557,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -37950,8 +37950,8 @@ LS-scale= 4.629 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -37991,12 +37991,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -38052,52 +38052,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38179,8 +38179,8 @@ LS-scale= 4.636 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38221,15 +38221,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38285,52 +38285,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38412,8 +38412,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38450,15 +38450,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38514,52 +38514,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -38796,8 +38796,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38834,15 +38834,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38898,52 +38898,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39026,8 +39026,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39064,15 +39064,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39128,52 +39128,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39256,8 +39256,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39294,15 +39294,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39358,52 +39358,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39486,8 +39486,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39524,15 +39524,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39588,52 +39588,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39716,8 +39716,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39754,15 +39754,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39818,52 +39818,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39946,8 +39946,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39984,15 +39984,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -40048,52 +40048,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS diff --git a/test_suite/INW64GHGUI.org/test3.out b/test_suite/INW64GHGUI.org/test3.out index 5ec56ef64..a751f7c95 100644 --- a/test_suite/INW64GHGUI.org/test3.out +++ b/test_suite/INW64GHGUI.org/test3.out @@ -4754,9 +4754,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.86 -2.28 1.2 0.03 -0.00 0.01 0.01 0.05 -0.04 -[35] -2.28 12.59 0.4 -0.00 0.05 -0.00 -0.03 -0.05 0.07 -[35] 1.25 0.48 1.5 0.01 -0.00 0.06 -0.01 0.02 0.03 +[35] -0.87 -2.29 1.25 0.04 -0.01 0.01 0.02 0.05 -0.05 +[35] -2.29 12.60 0.48 -0.01 0.06 -0.00 -0.03 -0.06 0.07 +[35] 1.25 0.48 1.57 0.01 -0.00 0.06 -0.01 0.02 0.04 @@ -4781,9 +4781,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.03 0.02 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 -0.03 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 -0.07 -0.06 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.03 0.03 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.01 0.02 -0.04 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 -0.07 -0.06 -0.06 @@ -4802,9 +4802,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.00 0.00 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 0.00 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 0.00 0.00 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.00 0.00 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.00 0.02 0.00 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 0.00 0.00 -0.06 @@ -4915,9 +4915,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 16.80 -4.91 -7.3 0.03 -0.00 -0.00 -0.12 -0.07 0.28 -[35] -4.91 69.40 21.5 -0.00 0.03 0.00 0.44 0.07 -0.26 -[35] -7.37 21.55 66.2 -0.00 0.00 0.05 -0.03 0.08 0.05 +[35] 16.80 -4.92 -7.38 0.03 -0.00 -0.01 -0.12 -0.08 0.29 +[35] -4.92 69.40 21.55 -0.00 0.04 0.00 0.44 0.07 -0.27 +[35] -7.38 21.55 66.20 -0.01 0.00 0.05 -0.04 0.09 0.05 @@ -4942,9 +4942,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.25 -0.15 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 -0.29 0.15 -0.19 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 -0.28 0.24 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.01 -0.07 0.26 -0.16 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 -0.29 0.15 -0.19 +[35] 0.00 0.00 90.43 0.01 -0.01 0.05 -0.28 0.24 -0.08 @@ -4963,9 +4963,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.00 0.00 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 0.00 0.15 0.00 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 0.00 0.00 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.00 -0.07 0.00 0.00 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 0.00 0.15 0.00 +[35] 0.00 0.00 90.43 0.00 -0.01 0.05 0.00 0.00 -0.08 @@ -5329,8 +5329,8 @@ AZIMUTH = -73.48 AZIMUTH /100 = -0.7348 Transformation to crystal fractions w.r.t. centroid from best plane co-ordinates in angstrom and fractions -[31] -0.015 -0.115 -0.067 -[31] -0.111 -0.037 -0.026 +[31] -0.015 -0.116 -0.067 +[31] -0.111 -0.038 -0.026 [85] 0.00 0.03 -0.04 0.03 0.50 -0.87 @@ -5410,7 +5410,7 @@ AZIMUTH = -3.24 AZIMUTH /100 = -0.0324 Transformation to crystal fractions w.r.t. centroid from best plane co-ordinates in angstrom and fractions -[31] 0.109 -0.073 -0.028 +[31] 0.109 -0.074 -0.028 [85] 0.10 0.02 0.06 0.98 0.23 0.55 [85] -0.01 -0.03 0.04 -0.25 -0.65 0.72 @@ -5473,7 +5473,7 @@ AZIMUTH = -72.46 AZIMUTH /100 = -0.7246 [85] -0.05 0.12 -0.02 -0.46 1.03 -0.18 [85] 0.07 0.09 -0.03 0.69 0.88 -0.24 -[31] -0.004 -0.010 -0.049 +[31] -0.004 -0.010 -0.049 @@ -5546,7 +5546,7 @@ AZIMUTH = 44.42 AZIMUTH /100 = 0.4442 [85] -0.05 0.12 -0.01 -0.46 1.04 -0.09 [85] 0.07 0.09 -0.02 0.69 0.90 -0.17 -[31] -0.004 -0.006 -0.049 +[31] -0.004 -0.006 -0.050 @@ -5852,8 +5852,8 @@ LS-scale= 12.394 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.44E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4.44E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4E-05 S/ESD 1 1 -1.155 0.0E+00 0.628E+00 -1.84 SCALE [14a] LARGE 2 2 -0.192 0.0E+00 0.70 E-01 -2.7 SI 1 U[11] Composite @@ -5928,15 +5928,15 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [38] Mean -0.60 0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.07 -0.00 -0.00 -0.02 -[31] 0.053 0.014 0.027 +[31] 0.054 0.014 0.027 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.08 0.02 0.11 0.00 0.01 0.03 -[31] 0.067 0.019 0.046 +[31] 0.068 0.019 0.047 [70] Maximum 1. 0.00 0.00 0.01 0.00 0.01 0.19 0.03 0.26 0.01 0.01 0.06 -[31] 0.126 0.025 0.085 +[31] 0.127 0.026 0.086 [03] Reversals @@ -5992,37 +5992,37 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [37] SI 1. 0.16 0.00 0.00 0.00 0.00 -0.17 [37] 0.00 0.00 0.00 0.00 -0.19 -0.19 -0.26 0.00 0.00 -0.09 [37] 0.00 0.00 0.00 0.00 0.07 0.07 0.13 0.00 0.00 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 0.33 0.00 0.33 0.66 0.51 -0.04 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.11 0.00 0.00 -0.02 [37] 0.00 0.00 0.00 0.02 0.02 0.02 0.04 0.00 0.00 0.01 -[31] 0.000 0.000 0.107 +[31] 0.000 0.000 0.107 [37] NA 1. 0.50 0.00 0.39 0.39 0.00 0.00 [37] 0.00 0.01 0.01 0.00 -0.02 -0.02 -0.06 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.03 -[31] 0.074 0.074 0.000 +[31] 0.075 0.075 0.000 [37] NA 2. 0.50 0.00 0.71 0.71 0.50 -0.03 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.10 0.00 0.00 -0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.071 0.071 0.000 +[31] 0.071 0.071 0.000 [37] F 1. 1.00 0.00 0.09 -0.09 0.80 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.03 0.03 0.01 -[31] 0.069 0.068 0.040 +[31] 0.069 0.068 0.040 [37] F 2. 1.00 0.00 0.44 -0.39 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.01 0.02 -[31] 0.045 0.050 0.039 +[31] 0.046 0.050 0.040 [37] F 3. 1.00 0.00 0.23 -0.25 0.32 0.01 [37] 0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.02 0.02 -[31] 0.055 0.058 0.041 +[31] 0.056 0.059 0.042 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [37] SI 1. -0.23 -0.17 -0.17 -0.19 -0.19 -0.12 @@ -7187,21 +7187,21 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1E-06 S/ESD 1 1 0.029 0.0E+00 0.189E-01 1.52 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.4 E-02 1.4 DU[ISO] Inversion method: Automatic -Block No 2. Single precision relative error: 1.72E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.72E-07 +[80a] Block No 2. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 2 Inversion method: Automatic -Block No 3. Single precision relative error: 1.68E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.68E-07 +[80a] Block No 3. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 3 Inversion method: Automatic -Block No 4. Single precision relative error: 1.47E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.47E-07 +[80a] Block No 4. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 Block 4 [14] S/ESD 11 1 -0.022 0.0E+00 0.36 E-02 -6.3 C 1 X [14] S/ESD 13 3 0.017 0.0E+00 0.40 E-02 4.2 C 1 Z @@ -7245,12 +7245,12 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [89] -0.05 -0.03 0.00 [71] R.M.S. 0. 0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.052 0.067 +[31] 0.123 0.052 0.067 [70] Maximum 0. 0.00 0.02 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.197 0.071 0.103 +[31] 0.197 0.071 0.103 [03] Reversals @@ -7297,17 +7297,17 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [37] S 1. 1.00 1.00 0.16 0.02 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.007 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.015 +[31] 0.019 0.018 0.015 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.03 [73] 0.00 -0.01 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.029 0.024 +[31] 0.031 0.029 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -7422,12 +7422,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.015 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.021 0.019 +[31] 0.030 0.021 0.020 [03] Reversals @@ -7474,17 +7474,17 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] S 1. 1.00 1.00 0.16 0.02 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.009 +[31] 0.012 0.012 0.010 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.018 0.015 +[31] 0.020 0.019 0.016 [84] Mean C-C su = 0.01 #CYCLENDS #PRINT 6 @@ -7731,8 +7731,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.23E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.23E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -7769,15 +7769,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.001 0.003 0.000 +[31] 0.001 0.003 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.000 +[31] 0.002 0.005 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.007 0.001 +[31] 0.003 0.007 0.001 [03] Reversals @@ -7822,22 +7822,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] B 2. 1.00 0.00 -0.18 -0.11 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 5 @@ -7967,8 +7967,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.09E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.09E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -8005,15 +8005,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.004 0.002 0.001 [03] Reversals @@ -8058,22 +8058,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.005 [37] B 2. 1.00 0.00 -0.18 -0.12 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.003 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK @@ -8839,124 +8839,14 @@ LS-scale= 1.000 Wilson Scale= 0.000 4 * -4 -8 -9 -7 -4 -1 5 * -9 -7 -1 4 5 3 -# TRIAL ALMOST CERTAINLY DOES NOT WORK -#TRIAL - - - - Structure factors end after 12 reflection(s) - - - - Scale factor 0.184E-01 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 0 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 1 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 2 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 3 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 4 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 5 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 6 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 7 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 8 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 9 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 - - 10 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 - - 11 * 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 - - 12 * 179 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 1 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 1 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 2 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 3 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 4 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 5 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 6 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 7 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 8 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 9 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 10 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 - - 11 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 - - 12 * 230 221 170 200 130 176 212 198 156 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 2 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 145 - - 1 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 2 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 3 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 4 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 5 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 6 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 7 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 8 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 9 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 10 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 107 - - 11 * 170 200 130 176 212 198 156 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 - - 12 * 221 170 200 130 176 212 198 156 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 +# \ TRIAL ALMOST CERTAINLY DOES NOT WORK +# \TRIAL +# MAP /FO/-MIN= 45 +# DISPLACEMENT .1 -.2 .3 +# DOWN 13 0 .02 0 +# ACROSS 26 .02 0 0 +# THROUGH 3 0 0 -.1 +# END #END diff --git a/test_suite/INW64GHGUI.org/tls.out b/test_suite/INW64GHGUI.org/tls.out index 294510644..df6b23fac 100644 --- a/test_suite/INW64GHGUI.org/tls.out +++ b/test_suite/INW64GHGUI.org/tls.out @@ -469,8 +469,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -511,12 +511,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -561,57 +561,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -693,8 +693,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -738,12 +738,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -788,57 +788,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -920,8 +920,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -965,12 +965,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -1015,57 +1015,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1160,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -1203,12 +1203,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -1253,57 +1253,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1385,8 +1385,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1430,12 +1430,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -1480,57 +1480,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1612,8 +1612,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1657,12 +1657,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -1707,57 +1707,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1839,8 +1839,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1877,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1930,57 +1930,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2077,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -2132,15 +2132,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2185,57 +2185,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2317,8 +2317,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -2363,15 +2363,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2416,57 +2416,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2971,8 +2971,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -3011,15 +3011,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -3064,57 +3064,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3196,8 +3196,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3238,15 +3238,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -3291,57 +3291,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3423,8 +3423,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3468,12 +3468,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -3518,57 +3518,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -3663,8 +3663,8 @@ LS-scale= 1.591 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.25E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 32 32 0.029 0.0E+00 0.42 E-02 6.9 C 4 U[11] [14] S/ESD 33 33 -0.017 0.0E+00 0.38 E-02 -4.5 C 4 U[22] [14] S/ESD 37 37 0.011 0.0E+00 0.40 E-02 2.7 C 4 U[12] @@ -3709,12 +3709,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.00 0.00 0.01 -[31] 0.004 0.003 0.007 +[31] 0.004 0.003 0.007 [03] Reversals @@ -3759,57 +3759,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.006 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3892,8 +3892,8 @@ LS-scale= 1.583 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.29E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.29E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -3933,12 +3933,12 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [03] Reversals @@ -3983,57 +3983,57 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.005 0.006 +[31] 0.009 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4116,8 +4116,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4154,15 +4154,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4207,57 +4207,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4340,8 +4340,8 @@ LS-scale= 1.586 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4378,15 +4378,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4431,57 +4431,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #ANISO @@ -4505,9 +4505,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 14.35 -20.88 7.8 0.03 -0.00 0.00 -0.02 0.09 0.02 -[35] -20.88 55.18 -12.7 -0.00 0.03 -0.00 -0.29 0.08 -0.12 -[35] 7.83 -12.75 22.1 0.00 -0.00 0.03 -0.16 0.07 -0.06 +[35] 14.35 -20.89 7.84 0.03 -0.00 0.00 -0.03 0.10 0.03 +[35] -20.89 55.19 -12.75 -0.00 0.03 -0.00 -0.30 0.09 -0.12 +[35] 7.84 -12.75 22.13 0.00 -0.00 0.03 -0.16 0.07 -0.06 @@ -4532,9 +4532,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.03 0.00 0.00 -0.05 -0.02 0.13 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.18 -0.06 -0.21 -[35] 0.00 0.00 68.6 0.00 0.00 0.03 -0.16 0.09 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 -0.03 0.13 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.18 -0.07 -0.22 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 -0.16 0.10 0.12 @@ -4553,9 +4553,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.00 -0.06 0.00 -[35] 0.00 0.00 68.6 0.00 0.00 0.02 0.00 0.00 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 0.00 0.00 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.00 -0.07 0.00 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 0.00 0.00 0.12 @@ -4740,9 +4740,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.96 0.39 -3.9 0.02 0.00 -0.00 0.00 -0.00 -0.15 -[35] 0.39 11.22 5.8 0.00 0.03 0.00 0.07 0.10 -0.10 -[35] -3.92 5.88 19.0 -0.00 0.00 0.03 0.14 0.39 -0.10 +[35] 4.97 0.39 -3.92 0.02 0.00 -0.00 0.00 -0.01 -0.15 +[35] 0.39 11.22 5.88 0.00 0.03 0.00 0.08 0.11 -0.11 +[35] -3.92 5.88 19.07 -0.00 0.00 0.03 0.14 0.40 -0.11 @@ -4767,9 +4767,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 -0.00 0.00 -0.05 0.13 -0.08 -[35] 0.00 9.05 0.0 -0.00 0.03 -0.00 -0.00 0.00 -0.12 -[35] 0.00 0.00 22.8 0.00 -0.00 0.03 -0.01 0.44 0.04 +[35] 3.37 0.00 0.00 0.02 -0.00 0.00 -0.05 0.14 -0.09 +[35] 0.00 9.06 0.00 -0.00 0.03 -0.00 -0.01 0.01 -0.13 +[35] 0.00 0.00 22.83 0.00 -0.00 0.03 -0.01 0.44 0.04 @@ -4788,9 +4788,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 9.05 0.0 0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 22.8 0.00 0.00 0.02 0.00 0.00 0.04 +[35] 3.37 0.00 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 +[35] 0.00 9.06 0.00 0.00 0.02 0.00 0.00 0.01 0.00 +[35] 0.00 0.00 22.83 0.00 0.00 0.03 0.00 0.00 0.04 @@ -4972,9 +4972,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.47 0.60 -1.2 0.02 0.00 0.00 0.02 0.06 -0.08 -[35] 0.60 11.29 6.5 0.00 0.02 -0.00 -0.05 0.01 -0.03 -[35] -1.29 6.59 15.0 0.00 -0.00 0.03 0.02 0.18 -0.04 +[35] 4.48 0.61 -1.30 0.02 0.00 0.00 0.02 0.06 -0.08 +[35] 0.61 11.30 6.60 0.00 0.03 -0.00 -0.06 0.02 -0.03 +[35] -1.30 6.60 15.03 0.00 -0.00 0.03 0.02 0.18 -0.04 @@ -4999,9 +4999,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.13 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 -0.03 -0.03 -0.06 -[35] 0.00 0.00 20.0 0.00 -0.00 0.03 -0.08 0.13 0.05 +[35] 3.81 0.00 0.00 0.03 -0.00 0.00 -0.01 0.13 0.00 +[35] 0.00 6.95 0.00 -0.00 0.03 -0.00 -0.03 -0.04 -0.06 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 -0.08 0.13 0.05 @@ -5020,9 +5020,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.00 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 0.00 -0.03 0.00 -[35] 0.00 0.00 20.0 0.00 -0.00 0.02 0.00 0.00 0.05 +[35] 3.81 0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 +[35] 0.00 6.95 0.00 -0.00 0.02 -0.00 0.00 -0.04 0.00 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 0.00 0.00 0.05 @@ -5207,9 +5207,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.18 0.61 1.7 0.02 0.00 -0.00 0.04 0.03 -0.06 -[35] 0.61 12.54 0.0 0.00 0.02 -0.00 -0.20 -0.00 0.04 -[35] 1.75 0.03 15.1 -0.00 -0.00 0.03 -0.15 0.02 -0.03 +[35] 4.19 0.61 1.75 0.03 0.00 -0.00 0.04 0.04 -0.07 +[35] 0.61 12.54 0.04 0.00 0.03 -0.00 -0.20 -0.01 0.04 +[35] 1.75 0.04 15.15 -0.00 -0.00 0.03 -0.15 0.03 -0.03 @@ -5234,9 +5234,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 0.00 -0.00 0.08 0.04 -0.05 -[35] 0.00 12.57 0.0 0.00 0.02 -0.00 -0.19 -0.02 0.01 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 -0.14 0.02 -0.06 +[35] 3.87 0.00 0.00 0.03 0.00 -0.00 0.09 0.04 -0.05 +[35] 0.00 12.58 0.00 0.00 0.03 -0.00 -0.20 -0.02 0.01 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 -0.15 0.03 -0.06 @@ -5255,9 +5255,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 -0.00 -0.00 0.08 0.00 0.00 -[35] 0.00 12.57 0.0 -0.00 0.02 -0.00 0.00 -0.02 0.00 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 0.00 0.00 -0.06 +[35] 3.87 0.00 0.00 0.02 -0.00 -0.00 0.09 0.00 0.00 +[35] 0.00 12.58 0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 0.00 0.00 -0.06 diff --git a/test_suite/INW64GHGUI.org/twin2.out b/test_suite/INW64GHGUI.org/twin2.out index 71cbd5548..6d20b5bd9 100644 --- a/test_suite/INW64GHGUI.org/twin2.out +++ b/test_suite/INW64GHGUI.org/twin2.out @@ -202,8 +202,8 @@ LS-scale= 10.008 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.55E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 5.55E-05 +[80a] Block No 1. Single precision relative error: 6E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 6E-05 S/ESD 1 1 -0.094 0.0E+00 0.485E-01 -1.95 SCALE Composite @@ -274,12 +274,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.006 0.009 +[31] 0.012 0.006 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.009 0.017 +[31] 0.018 0.009 0.017 [03] Reversals @@ -335,37 +335,37 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.000 0.005 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.005 0.005 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.004 0.004 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.005 +[31] 0.009 0.009 0.005 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.005 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.005 +[31] 0.008 0.008 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC NO NO @@ -1240,8 +1240,8 @@ LS-scale= 9.913 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.17E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.17E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 S/ESD 1 1 -0.069 0.7E+00 0.517E-01 -1.33 SCALE Composite @@ -1290,12 +1290,12 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.001 +[31] 0.005 0.004 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.002 +[31] 0.009 0.006 0.002 [03] Reversals @@ -1351,37 +1351,37 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1470,8 +1470,8 @@ LS-scale= 9.844 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.35E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.35E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 for 44 parameters [64] The rms (shift/su) = 0. @@ -1515,12 +1515,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -1576,37 +1576,37 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.003 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #FINI diff --git a/test_suite/LINUXGH.org/absorb.out b/test_suite/LINUXGH.org/absorb.out index 73a93639c..36dac68bf 100644 --- a/test_suite/LINUXGH.org/absorb.out +++ b/test_suite/LINUXGH.org/absorb.out @@ -16,7 +16,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -48,16 +48,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 53 @@ -115,16 +115,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 -0.58 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.68 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 1.04 2.35 -[35] 1.87 0.00 0.0 0.00 0.00 0.00 0.00 0.10 103.68 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 -0.59 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.68 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 1.05 2.35 +[35] 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.11 103.69 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 The updated reflections are now on UNIT 52 @@ -145,7 +145,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.079 -0.093 [89] -0.09 0.02 -0.10 @@ -177,16 +177,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 129.91 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.05 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 129.91 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 The updated reflections are now on UNIT 53 @@ -208,7 +208,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -233,16 +233,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 52 @@ -259,7 +259,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -286,16 +286,16 @@ -4. -2. -1. Excessive shape correction Inclinations 0.045 0.388 0.040 Correction 5.088 -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 4.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 3.8 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.4 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.6 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 2.4 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 53 @@ -309,7 +309,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -341,16 +341,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 52 diff --git a/test_suite/LINUXGH.org/amp.out b/test_suite/LINUXGH.org/amp.out index c97fde52e..b1f53e293 100644 --- a/test_suite/LINUXGH.org/amp.out +++ b/test_suite/LINUXGH.org/amp.out @@ -471,8 +471,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -512,12 +512,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -562,57 +562,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -694,8 +694,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -739,12 +739,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -789,57 +789,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -921,8 +921,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -959,15 +959,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1012,57 +1012,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1157,8 +1157,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1201,12 +1201,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1251,57 +1251,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1383,8 +1383,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1428,12 +1428,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1478,57 +1478,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1610,8 +1610,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1655,12 +1655,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1705,57 +1705,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1837,8 +1837,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1879,15 +1879,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1932,57 +1932,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2079,8 +2079,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2132,15 +2132,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2185,57 +2185,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2317,8 +2317,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2363,15 +2363,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2416,57 +2416,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2688,6 +2688,7 @@ LS-scale= 1.733 Wilson Scale= 0.000 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2957,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2997,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3050,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3182,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3224,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3277,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3409,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3451,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3504,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGH.org/batch.out b/test_suite/LINUXGH.org/batch.out index db3d43871..3d3c10931 100644 --- a/test_suite/LINUXGH.org/batch.out +++ b/test_suite/LINUXGH.org/batch.out @@ -244,8 +244,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -285,12 +285,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -346,57 +346,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -478,8 +478,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -520,15 +520,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.004 [03] Reversals @@ -584,57 +584,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -716,8 +716,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.19E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.19E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -758,15 +758,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -822,57 +822,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -955,8 +955,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.15E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.15E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -993,15 +993,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1057,57 +1057,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1201,8 +1201,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.19 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -1244,12 +1244,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -1305,57 +1305,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1437,8 +1437,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -1483,12 +1483,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -1544,57 +1544,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1676,8 +1676,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1718,15 +1718,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -1782,57 +1782,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1915,8 +1915,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1953,15 +1953,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2017,57 +2017,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2162,8 +2162,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.79 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -2215,12 +2215,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -2276,57 +2276,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2408,8 +2408,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.38 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -2452,15 +2452,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -2516,57 +2516,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2648,8 +2648,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2693,12 +2693,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -2754,57 +2754,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2887,8 +2887,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2928,12 +2928,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -2989,57 +2989,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3292,8 +3292,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -3332,15 +3332,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3473,8 +3473,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -3517,15 +3517,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3658,8 +3658,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3700,15 +3700,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3912,8 +3912,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3950,15 +3950,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4155,8 +4155,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -4195,15 +4195,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4336,8 +4336,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4378,15 +4378,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4519,8 +4519,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4557,15 +4557,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4774,8 +4774,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -4815,15 +4815,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4956,8 +4956,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -5000,15 +5000,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5141,8 +5141,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -5183,15 +5183,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5410,8 +5410,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5451,12 +5451,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -5512,57 +5512,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5644,8 +5644,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5686,15 +5686,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5750,57 +5750,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5882,8 +5882,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.55E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.55E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5924,15 +5924,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5988,57 +5988,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -6203,8 +6203,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -6241,15 +6241,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -6305,57 +6305,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -6450,8 +6450,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -6493,15 +6493,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -6557,57 +6557,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -6689,8 +6689,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -6734,12 +6734,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.024 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -6795,57 +6795,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6927,8 +6927,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -6969,15 +6969,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -7033,57 +7033,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -7248,8 +7248,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -7286,15 +7286,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7350,57 +7350,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7495,8 +7495,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.139E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.7 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.2 O 3 U[22] @@ -7549,12 +7549,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.009 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.02 -[31] 0.016 0.006 0.010 +[31] 0.016 0.007 0.010 [03] Reversals @@ -7610,57 +7610,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.17 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7742,8 +7742,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.62 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.5 C 4 U[11] @@ -7786,15 +7786,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [03] Reversals @@ -7850,57 +7850,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7982,8 +7982,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8027,12 +8027,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -8088,57 +8088,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -8303,8 +8303,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8341,15 +8341,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -8405,57 +8405,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -8692,8 +8692,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -8733,12 +8733,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -8794,57 +8794,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8926,8 +8926,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -8968,15 +8968,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.005 [03] Reversals @@ -9032,57 +9032,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9164,8 +9164,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9206,15 +9206,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9270,57 +9270,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -9403,8 +9403,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9441,15 +9441,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9505,57 +9505,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9649,8 +9649,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.18 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -9692,12 +9692,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -9753,57 +9753,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9885,8 +9885,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -9931,12 +9931,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -9992,57 +9992,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10124,8 +10124,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10166,15 +10166,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -10230,57 +10230,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10363,8 +10363,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.25E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.25E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10401,15 +10401,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10465,57 +10465,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -10610,8 +10610,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.80 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -10663,12 +10663,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -10724,57 +10724,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10856,8 +10856,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.37 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -10900,15 +10900,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -10964,57 +10964,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11096,8 +11096,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11141,12 +11141,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -11202,57 +11202,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11335,8 +11335,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11376,12 +11376,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -11437,57 +11437,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -11740,8 +11740,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -11780,15 +11780,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11921,8 +11921,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -11965,15 +11965,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12106,8 +12106,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12148,15 +12148,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12360,8 +12360,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12398,15 +12398,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12603,8 +12603,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -12643,15 +12643,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12784,8 +12784,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12826,15 +12826,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12967,8 +12967,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -13005,15 +13005,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13222,8 +13222,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -13263,15 +13263,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13404,8 +13404,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -13448,15 +13448,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13589,8 +13589,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -13631,15 +13631,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13858,8 +13858,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.51E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -13899,12 +13899,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -13960,57 +13960,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14092,8 +14092,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.53E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.53E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14134,15 +14134,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14198,57 +14198,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14330,8 +14330,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14372,15 +14372,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14436,57 +14436,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14651,8 +14651,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14689,15 +14689,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14753,57 +14753,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -14898,8 +14898,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -14941,15 +14941,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -15005,57 +15005,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -15137,8 +15137,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -15182,12 +15182,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.025 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -15243,57 +15243,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15375,8 +15375,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15417,15 +15417,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -15481,57 +15481,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -15696,8 +15696,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15734,15 +15734,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -15798,57 +15798,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15943,8 +15943,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.140E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.8 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.1 O 3 U[22] @@ -15999,12 +15999,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.003 0.004 +[31] 0.009 0.004 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.017 0.005 0.007 +[31] 0.017 0.006 0.007 [03] Reversals @@ -16060,57 +16060,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16192,8 +16192,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.63 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.6 C 4 U[11] @@ -16236,15 +16236,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.001 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.007 0.005 [03] Reversals @@ -16300,57 +16300,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16432,8 +16432,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16477,12 +16477,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -16538,57 +16538,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -16753,8 +16753,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16791,15 +16791,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -16855,57 +16855,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -17142,8 +17142,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -17181,15 +17181,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -17245,57 +17245,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17377,8 +17377,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17419,15 +17419,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -17483,57 +17483,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17615,8 +17615,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17660,12 +17660,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -17721,57 +17721,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -17854,8 +17854,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17892,15 +17892,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -17956,57 +17956,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -18100,8 +18100,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -18144,12 +18144,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -18205,57 +18205,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18337,8 +18337,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -18383,12 +18383,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -18444,57 +18444,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18576,8 +18576,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18621,12 +18621,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -18682,57 +18682,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -18815,8 +18815,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18856,12 +18856,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -18917,57 +18917,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -19062,8 +19062,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.41 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -19122,12 +19122,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -19183,57 +19183,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -19315,8 +19315,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.435E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -19362,12 +19362,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -19423,57 +19423,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19555,8 +19555,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19600,12 +19600,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -19661,57 +19661,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19794,8 +19794,8 @@ LS-scale= 1.658 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19835,12 +19835,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -19896,57 +19896,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -20194,8 +20194,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -20234,15 +20234,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20370,8 +20370,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -20414,15 +20414,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20550,8 +20550,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -20594,15 +20594,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20801,8 +20801,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -20841,15 +20841,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21038,8 +21038,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -21078,15 +21078,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21219,8 +21219,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21261,15 +21261,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21402,8 +21402,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21444,15 +21444,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21661,8 +21661,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 2 @@ -21702,15 +21702,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21843,8 +21843,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.95E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.88 SCALE for 2 parameters @@ -21886,15 +21886,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22027,8 +22027,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -22069,15 +22069,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22296,8 +22296,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22337,12 +22337,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -22398,57 +22398,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22530,8 +22530,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22568,15 +22568,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22632,57 +22632,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -22847,8 +22847,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22885,15 +22885,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22949,57 +22949,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -23094,8 +23094,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.9 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -23140,12 +23140,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -23201,57 +23201,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -23333,8 +23333,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -23379,12 +23379,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -23440,57 +23440,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23572,8 +23572,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23617,12 +23617,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -23678,57 +23678,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -23893,8 +23893,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23931,15 +23931,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -23995,57 +23995,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -24140,8 +24140,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -24200,12 +24200,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -24261,57 +24261,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24393,8 +24393,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -24440,12 +24440,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -24501,57 +24501,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24633,8 +24633,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24678,12 +24678,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -24739,57 +24739,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -24954,8 +24954,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24995,12 +24995,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -25056,57 +25056,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -25344,8 +25344,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -25383,15 +25383,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -25447,57 +25447,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25579,8 +25579,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25621,15 +25621,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -25685,57 +25685,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25817,8 +25817,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25862,12 +25862,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -25923,57 +25923,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -26056,8 +26056,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -26094,15 +26094,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -26158,57 +26158,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -26302,8 +26302,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -26346,12 +26346,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -26407,57 +26407,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26539,8 +26539,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -26585,12 +26585,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -26646,57 +26646,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26778,8 +26778,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -26823,12 +26823,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -26884,57 +26884,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -27017,8 +27017,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -27058,12 +27058,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -27119,57 +27119,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -27264,8 +27264,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.42 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -27324,12 +27324,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -27385,57 +27385,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -27517,8 +27517,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.436E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -27564,12 +27564,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -27625,57 +27625,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27757,8 +27757,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -27802,12 +27802,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -27863,57 +27863,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -27996,8 +27996,8 @@ LS-scale= 1.659 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -28037,12 +28037,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -28098,57 +28098,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -28396,8 +28396,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -28436,15 +28436,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28572,8 +28572,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -28616,15 +28616,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28752,8 +28752,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -28796,15 +28796,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29003,8 +29003,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -29043,15 +29043,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29240,8 +29240,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -29280,15 +29280,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29421,8 +29421,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29463,15 +29463,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29604,8 +29604,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29646,15 +29646,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29863,8 +29863,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 2 @@ -29904,15 +29904,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30045,8 +30045,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.96E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.87 SCALE for 2 parameters @@ -30088,15 +30088,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30229,8 +30229,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -30271,15 +30271,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30498,8 +30498,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30539,12 +30539,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -30600,57 +30600,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -30732,8 +30732,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30770,15 +30770,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30834,57 +30834,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -31049,8 +31049,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -31087,15 +31087,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -31151,57 +31151,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -31296,8 +31296,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.8 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -31342,12 +31342,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -31403,57 +31403,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -31535,8 +31535,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -31581,12 +31581,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -31642,57 +31642,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31774,8 +31774,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -31819,12 +31819,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -31880,57 +31880,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -32095,8 +32095,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -32133,15 +32133,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32197,57 +32197,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -32342,8 +32342,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -32402,12 +32402,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -32463,57 +32463,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32595,8 +32595,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -32642,12 +32642,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -32703,57 +32703,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32835,8 +32835,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -32880,12 +32880,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -32941,57 +32941,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -33156,8 +33156,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -33197,12 +33197,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -33258,57 +33258,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGH.org/bigsfls.out b/test_suite/LINUXGH.org/bigsfls.out index c55d3a1c1..0e42ddc54 100644 --- a/test_suite/LINUXGH.org/bigsfls.out +++ b/test_suite/LINUXGH.org/bigsfls.out @@ -2086,8 +2086,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.17E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2.17E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2E-05 Composite Composite @@ -2467,12 +2467,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.004 0.009 +[31] 0.026 0.004 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.04 0.01 0.01 0.01 -[31] 0.113 0.007 0.042 +[31] 0.114 0.008 0.043 [03] Reversals @@ -2517,742 +2517,742 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.007 0.011 0.009 +[31] 0.008 0.011 0.010 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.008 0.010 0.006 +[31] 0.008 0.010 0.007 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.008 0.010 0.007 +[31] 0.008 0.011 0.007 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.007 0.010 0.009 +[31] 0.007 0.011 0.010 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.23 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.04 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.010 0.005 0.011 +[31] 0.010 0.006 0.011 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.007 0.005 0.008 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.005 +[31] 0.006 0.007 0.006 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.008 0.007 0.008 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.006 0.008 0.008 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.008 +[31] 0.006 0.007 0.008 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.007 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.007 0.007 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.006 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.008 0.009 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.008 +[31] 0.007 0.006 0.008 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.007 0.008 0.008 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.009 0.007 0.008 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.009 +[31] 0.007 0.010 0.010 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.010 +[31] 0.009 0.007 0.010 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.008 0.010 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.009 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.006 0.007 0.009 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.006 +[31] 0.009 0.008 0.006 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.008 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.008 0.007 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.008 +[31] 0.008 0.006 0.008 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.007 +[31] 0.006 0.009 0.007 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.009 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.010 +[31] 0.008 0.007 0.010 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.007 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.007 0.009 0.007 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.010 +[31] 0.009 0.008 0.010 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.008 +[31] 0.011 0.010 0.009 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.011 +[31] 0.011 0.008 0.011 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.010 +[31] 0.008 0.008 0.010 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.009 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.008 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.009 +[31] 0.010 0.007 0.010 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.009 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.03 -[31] 0.122 0.123 0.128 +[31] 0.122 0.124 0.129 [37] H 116. 1.00 1.00 0.51 0.41 0.11 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.010 +[31] 0.010 0.007 0.010 [37] H 115. 1.00 1.00 0.57 0.53 0.00 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.011 0.006 [37] H 114. 1.00 1.00 0.58 0.68 0.01 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.008 [37] H 113. 1.00 1.00 0.52 0.69 0.14 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] H 112. 1.00 1.00 0.45 0.57 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.010 0.007 [37] H 126. 1.00 1.00 0.61 0.30 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] H 125. 1.00 1.00 0.72 0.17 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.011 +[31] 0.007 0.012 0.012 [37] H 124. 1.00 1.00 0.68 0.08 0.19 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.009 0.012 [37] H 123. 1.00 1.00 0.52 0.12 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.010 0.011 [37] H 122. 1.00 1.00 0.42 0.25 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.010 +[31] 0.008 0.011 0.011 [37] H 136. 1.00 1.00 0.33 0.32 0.45 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.009 0.010 +[31] 0.007 0.009 0.010 [37] H 135. 1.00 1.00 0.37 0.31 0.56 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.006 [37] H 134. 1.00 1.00 0.52 0.38 0.54 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] H 133. 1.00 1.00 0.62 0.45 0.41 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.011 +[31] 0.008 0.010 0.011 [37] H 132. 1.00 1.00 0.58 0.46 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.006 +[31] 0.009 0.009 0.007 [37] H 216. 1.00 1.00 0.24 0.72 0.20 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.010 0.010 0.008 [37] H 215. 1.00 1.00 0.31 0.81 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.011 +[31] 0.011 0.006 0.011 [37] H 214. 1.00 1.00 0.35 0.74 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.010 0.010 0.012 [37] H 213. 1.00 1.00 0.32 0.59 0.44 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.007 +[31] 0.010 0.011 0.008 [37] H 212. 1.00 1.00 0.25 0.50 0.39 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.009 +[31] 0.010 0.006 0.009 [37] H 226. 1.00 1.00 0.05 0.68 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.008 +[31] 0.012 0.010 0.009 [37] H 225. 1.00 1.00 -0.11 0.73 0.31 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.014 +[31] 0.013 0.009 0.014 [37] H 224. 1.00 1.00 -0.19 0.62 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.014 0.013 +[31] 0.007 0.014 0.013 [37] H 223. 1.00 1.00 -0.12 0.48 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.012 0.012 0.009 [37] H 222. 1.00 1.00 0.04 0.43 0.41 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.007 0.011 +[31] 0.012 0.007 0.012 [37] H 236. 1.00 1.00 0.06 0.55 0.17 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.011 +[31] 0.007 0.011 0.011 [37] H 235. 1.00 1.00 0.08 0.60 0.03 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.013 +[31] 0.011 0.012 0.013 [37] H 234. 1.00 1.00 0.23 0.66 -0.06 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.007 +[31] 0.014 0.011 0.007 [37] H 233. 1.00 1.00 0.36 0.67 -0.01 0.07 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] H 232. 1.00 1.00 0.34 0.61 0.12 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.012 +[31] 0.008 0.011 0.012 [37] H 316. 1.00 1.00 0.17 0.17 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.011 +[31] 0.007 0.011 0.012 [37] H 315. 1.00 1.00 0.27 0.11 0.64 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.006 +[31] 0.013 0.011 0.007 [37] H 314. 1.00 1.00 0.44 0.07 0.59 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.012 0.011 0.012 [37] H 313. 1.00 1.00 0.52 0.09 0.45 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.013 +[31] 0.006 0.011 0.013 [37] H 312. 1.00 1.00 0.42 0.14 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.011 0.011 0.007 [37] H 326. 1.00 1.00 0.07 0.09 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.009 0.011 [37] H 325. 1.00 1.00 -0.08 0.07 0.51 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.011 0.009 0.013 [37] H 324. 1.00 1.00 -0.16 0.16 0.59 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.012 0.010 +[31] 0.007 0.013 0.010 [37] H 323. 1.00 1.00 -0.07 0.28 0.58 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] H 322. 1.00 1.00 0.08 0.31 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.008 0.012 [37] H 336. 1.00 1.00 0.19 0.22 0.23 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.010 0.008 0.012 [37] H 335. 1.00 1.00 0.23 0.11 0.15 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.008 +[31] 0.012 0.014 0.009 [37] H 334. 1.00 1.00 0.31 -0.02 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.012 0.012 0.013 [37] H 333. 1.00 1.00 0.35 -0.07 0.32 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.014 +[31] 0.011 0.008 0.014 [37] H 332. 1.00 1.00 0.31 0.03 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.011 0.012 0.009 [37] H 413. 1.00 1.00 -0.29 0.59 0.15 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.011 +[31] 0.009 0.010 0.011 [37] H 415. 1.00 1.00 -0.29 0.54 0.12 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.010 0.012 0.010 [37] H 416. 1.00 1.00 -0.17 0.38 0.15 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.012 0.010 0.011 [37] H 412. 1.00 1.00 -0.20 0.61 0.27 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.009 0.011 +[31] 0.012 0.010 0.012 [37] H 414. 1.00 1.00 -0.09 0.47 0.29 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [37] H 426. 1.00 1.00 -0.09 0.20 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.013 +[31] 0.009 0.012 0.013 [37] H 425. 1.00 1.00 0.00 0.17 0.05 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.016 +[31] 0.016 0.011 0.016 [37] H 424. 1.00 1.00 0.14 0.23 -0.03 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.010 +[31] 0.015 0.014 0.010 [37] H 423. 1.00 1.00 0.21 0.33 0.00 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.012 +[31] 0.009 0.013 0.012 [37] H 422. 1.00 1.00 0.13 0.37 0.11 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.014 +[31] 0.013 0.010 0.015 [37] H 436. 1.00 1.00 -0.02 0.12 0.30 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.011 +[31] 0.008 0.013 0.012 [37] H 435. 1.00 1.00 -0.13 0.01 0.39 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.007 0.014 +[31] 0.015 0.007 0.014 [37] H 434. 1.00 1.00 -0.29 0.05 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] H 433. 1.00 1.00 -0.34 0.20 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.015 0.011 +[31] 0.008 0.015 0.011 [37] H 432. 1.00 1.00 -0.24 0.32 0.36 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.013 +[31] 0.013 0.008 0.013 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.066 0.224 0.384 0.225 0.178 1.306 Might be split @@ -3358,8 +3358,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.30E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.30E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -3396,15 +3396,15 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -3449,442 +3449,442 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.000 0.001 0.001 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.000 0.002 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 222. 1.00 1.00 0.00 0.50 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 322. 1.00 1.00 0.04 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 325. 1.00 1.00 -0.04 0.11 0.50 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -3994,8 +3994,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.76E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.76E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 [14] S/ESD 217 217 -0.012 0.0E+00 0.79 E-03 -15.0 C 414 X [14] S/ESD 219 219 -0.010 0.0E+00 0.63 E-03 -16.9 C 414 Z @@ -4037,12 +4037,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.030 +[31] 0.029 0.024 0.030 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.174 0.155 0.200 +[31] 0.175 0.155 0.201 [03] Reversals @@ -4087,437 +4087,437 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.006 0.007 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.019 +[31] 0.017 0.016 0.019 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.017 +[31] 0.016 0.019 0.017 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.014 +[31] 0.016 0.016 0.015 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.017 +[31] 0.016 0.018 0.017 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.017 +[31] 0.015 0.017 0.017 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.016 0.027 +[31] 0.021 0.016 0.028 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.011 0.012 0.012 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.011 +[31] 0.009 0.011 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.012 0.013 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.013 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.015 0.014 0.013 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.012 +[31] 0.015 0.014 0.013 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.014 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.011 0.013 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.010 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.011 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.014 0.014 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.014 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.013 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.016 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.014 0.014 0.014 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.011 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.014 0.012 0.015 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.017 +[31] 0.015 0.013 0.017 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.012 0.016 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.013 0.011 0.014 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.010 0.013 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.015 0.012 0.016 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.016 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.014 0.014 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.014 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.017 +[31] 0.013 0.017 0.017 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.013 0.016 0.016 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.013 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 413. 1.00 1.00 -0.24 0.57 0.19 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.015 0.013 [37] C 414. 1.00 1.00 -0.15 0.49 0.24 0.05 [73] 0.00 -0.01 0.00 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.014 0.012 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.014 0.013 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.013 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.013 0.015 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.019 +[31] 0.018 0.016 0.019 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.015 +[31] 0.014 0.013 0.015 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.016 0.015 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.015 +[31] 0.016 0.017 0.015 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.017 0.015 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.015 0.015 0.014 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -4637,15 +4637,15 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.007 +[31] 0.004 0.004 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.017 0.058 +[31] 0.036 0.017 0.059 [03] Reversals @@ -4690,437 +4690,437 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.018 +[31] 0.016 0.015 0.018 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.016 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.015 0.014 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.017 0.016 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.016 +[31] 0.014 0.016 0.016 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.026 +[31] 0.020 0.015 0.026 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.011 0.011 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.010 0.008 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.011 0.012 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.014 0.013 0.012 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.010 +[31] 0.009 0.009 0.010 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.009 0.011 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.012 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.013 +[31] 0.011 0.014 0.013 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.012 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.014 0.015 0.015 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 225. 1.00 1.00 -0.08 0.67 0.33 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.014 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.016 +[31] 0.015 0.012 0.016 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.015 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.012 0.010 0.012 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.014 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.011 0.015 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.013 0.013 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.016 +[31] 0.013 0.016 0.016 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.015 +[31] 0.012 0.015 0.015 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.013 0.012 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [37] C 413. 1.00 1.00 -0.25 0.57 0.19 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.012 [37] C 414. 1.00 1.00 -0.15 0.50 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.011 0.013 0.011 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.012 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.013 0.012 0.014 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.015 0.018 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.013 0.012 0.014 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.012 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.013 +[31] 0.015 0.015 0.014 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.014 +[31] 0.015 0.016 0.014 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.016 0.014 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split diff --git a/test_suite/LINUXGH.org/cif.out b/test_suite/LINUXGH.org/cif.out index f0921124a..fe9f97dce 100644 --- a/test_suite/LINUXGH.org/cif.out +++ b/test_suite/LINUXGH.org/cif.out @@ -730,8 +730,8 @@ O3 . C4 . 1.438(8) yes C4 . H41 . 0.955 no C4 . H42 . 0.952 no C4 . H43 . 0.961 no -N6 . H1 3_745 5.433 no N6 . C7 . 1.348(8) yes +N6 . H1 . 0.935 no C7 . O8 . 1.224(8) yes C7 . C9 . 1.489(8) yes C9 . H91 . 0.952 no @@ -767,9 +767,9 @@ H41 . C4 . H42 . 108.9 no O3 . C4 . H43 . 109.7 no H41 . C4 . H43 . 108.2 no H42 . C4 . H43 . 108.4 no -C1 . N6 . H1 3_745 57.7 no C1 . N6 . C7 . 121.3(5) yes -H1 3_745 N6 . C7 . 105.5 no +C1 . N6 . H1 . 122.4 no +C7 . N6 . H1 . 116.2 no N6 . C7 . O8 . 121.9(6) yes N6 . C7 . C9 . 116.0(6) yes O8 . C7 . C9 . 122.1(6) yes @@ -890,8 +890,8 @@ O3 . C4 . 1.438(8) yes C4 . H41 . 0.955 no C4 . H42 . 0.952 no C4 . H43 . 0.961 no -N6 . H1 3_745 5.433 no N6 . C7 . 1.348(7) yes +N6 . H1 . 0.935 no C7 . O8 . 1.224(8) yes C7 . C9 . 1.489(8) yes C9 . H91 . 0.952 no @@ -927,9 +927,9 @@ H41 . C4 . H42 . 108.9 no O3 . C4 . H43 . 109.7 no H41 . C4 . H43 . 108.2 no H42 . C4 . H43 . 108.4 no -C1 . N6 . H1 3_745 57.7 no C1 . N6 . C7 . 121.3(5) yes -H1 3_745 N6 . C7 . 105.5 no +C1 . N6 . H1 . 122.4 no +C7 . N6 . H1 . 116.2 no N6 . C7 . O8 . 121.9(6) yes N6 . C7 . C9 . 116.0(6) yes O8 . C7 . C9 . 122.1(6) yes @@ -1050,8 +1050,8 @@ O3 . C4 . 1.438(8) yes C4 . H41 . 0.955 no C4 . H42 . 0.952 no C4 . H43 . 0.961 no -N6 . H1 3_745 5.43(7) no N6 . C7 . 1.348(8) yes +N6 . H1 . 0.94(4) no C7 . O8 . 1.224(8) yes C7 . C9 . 1.489(8) yes C9 . H91 . 0.952 no @@ -1087,9 +1087,9 @@ H41 . C4 . H42 . 108.9 no O3 . C4 . H43 . 109.7 no H41 . C4 . H43 . 108.2 no H42 . C4 . H43 . 108.4 no -C1 . N6 . H1 3_745 57.7(7) no C1 . N6 . C7 . 121.3(5) yes -H1 3_745 N6 . C7 . 105.5(8) no +C1 . N6 . H1 . 122(4) no +C7 . N6 . H1 . 116(4) no N6 . C7 . O8 . 121.9(6) yes N6 . C7 . C9 . 116.0(6) yes O8 . C7 . C9 . 122.1(6) yes diff --git a/test_suite/LINUXGH.org/difabs.out b/test_suite/LINUXGH.org/difabs.out index 44ad1f5d2..db60451a9 100644 --- a/test_suite/LINUXGH.org/difabs.out +++ b/test_suite/LINUXGH.org/difabs.out @@ -14,7 +14,7 @@ [89] 0.02 -0.08 0.05 -[31] 0.139 -0.000 -0.003 +[31] 0.139 -0.001 -0.003 #LIST 2 #LIST 6 #LIST 28 diff --git a/test_suite/LINUXGH.org/eigenfilter.out b/test_suite/LINUXGH.org/eigenfilter.out index 890024385..19e80b620 100644 --- a/test_suite/LINUXGH.org/eigenfilter.out +++ b/test_suite/LINUXGH.org/eigenfilter.out @@ -510,12 +510,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +560,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -735,12 +735,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -785,57 +785,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -953,15 +953,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1006,57 +1006,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1193,12 +1193,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1243,57 +1243,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1418,12 +1418,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1468,57 +1468,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1643,12 +1643,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1693,57 +1693,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1865,15 +1865,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1918,57 +1918,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2116,15 +2116,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2169,57 +2169,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2345,15 +2345,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2398,57 +2398,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2670,6 +2670,7 @@ LS-scale= 1.733 Wilson Scale= 0.000 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2977,15 +2978,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3030,57 +3031,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3529,12 +3530,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -3579,57 +3580,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3754,12 +3755,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -3804,57 +3805,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3979,12 +3980,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4029,57 +4030,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4216,12 +4217,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4266,57 +4267,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4441,12 +4442,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4491,57 +4492,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4666,12 +4667,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -4716,57 +4717,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4888,15 +4889,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -4941,57 +4942,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5139,15 +5140,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.76 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5192,57 +5193,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5368,15 +5369,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5421,60 +5422,61 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -5691,6 +5693,7 @@ LS-scale= 1.733 Wilson Scale= 0.000 List 5 now contains 22 atom(s) #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -5998,15 +6001,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.008 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.014 0.023 0.018 [03] Reversals @@ -6051,57 +6054,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -6551,12 +6554,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -6601,57 +6604,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -6776,12 +6779,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -6826,57 +6829,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7001,12 +7004,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -7051,57 +7054,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -7237,12 +7240,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -7287,57 +7290,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7462,12 +7465,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -7512,57 +7515,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7687,12 +7690,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -7737,57 +7740,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7905,15 +7908,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7958,57 +7961,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8158,15 +8161,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8211,57 +8214,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8387,15 +8390,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8440,60 +8443,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -8721,6 +8725,7 @@ LS-scale= 1.687 Wilson Scale= 0.000 List 5 now contains 22 atom(s) #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -9028,15 +9033,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -9081,57 +9086,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -9581,12 +9586,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -9631,57 +9636,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -9806,12 +9811,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -9856,57 +9861,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10031,12 +10036,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -10081,57 +10086,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -10267,12 +10272,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -10317,57 +10322,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10492,12 +10497,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -10542,57 +10547,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10717,12 +10722,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -10767,57 +10772,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10935,15 +10940,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10988,57 +10993,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11188,15 +11193,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11241,57 +11246,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11417,15 +11422,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11470,60 +11475,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -11751,6 +11757,7 @@ LS-scale= 1.687 Wilson Scale= 0.000 List 5 now contains 22 atom(s) #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -12058,15 +12065,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -12111,57 +12118,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGH.org/esd.out b/test_suite/LINUXGH.org/esd.out index 35bbf0f54..421dc7e39 100644 --- a/test_suite/LINUXGH.org/esd.out +++ b/test_suite/LINUXGH.org/esd.out @@ -845,8 +845,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -915,12 +915,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.003 0.005 [03] Reversals @@ -965,37 +965,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST @@ -1965,8 +1965,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.12E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -2027,12 +2027,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.002 0.005 [03] Reversals @@ -2077,37 +2077,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST diff --git a/test_suite/LINUXGH.org/flack.out b/test_suite/LINUXGH.org/flack.out index 1037df4ed..d2bec0eb5 100644 --- a/test_suite/LINUXGH.org/flack.out +++ b/test_suite/LINUXGH.org/flack.out @@ -144,8 +144,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -182,15 +182,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -291,8 +291,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -329,15 +329,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -476,8 +476,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -515,15 +515,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -615,8 +615,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -653,15 +653,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -785,8 +785,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -823,15 +823,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -932,8 +932,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -970,15 +970,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1117,8 +1117,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -1156,15 +1156,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1256,8 +1256,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1294,15 +1294,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1427,8 +1427,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.4 E-02 -0.2 POLARITY for 1 parameters @@ -1466,15 +1466,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1575,8 +1575,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1613,15 +1613,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1760,8 +1760,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -2.0 0.0E+00 0.3 E+00 -6.0 POLARITY for 1 parameters @@ -1799,15 +1799,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1899,8 +1899,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 -0.9E-03 0.4 E-02 0.4 POLARITY for 1 parameters @@ -1938,15 +1938,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2071,8 +2071,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.1 E-02 -0.5 ENANTIO for 1 parameters @@ -2110,15 +2110,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2220,8 +2220,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -2258,15 +2258,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2405,8 +2405,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.9 0.0E+00 0.1 E+00 -6.7 ENANTIO for 1 parameters @@ -2444,15 +2444,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2544,8 +2544,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.6E-02 0.2 E-02 -3.1 ENANTIO for 1 parameters @@ -2583,15 +2583,15 @@ All cycle Min function 0.0 0.50E-03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2738,8 +2738,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 1 1 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 1 parameters @@ -2777,15 +2777,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -2830,7 +2830,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2881,8 +2881,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -2923,15 +2923,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -2976,7 +2976,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3028,8 +3028,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -3066,15 +3066,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3119,7 +3119,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3170,8 +3170,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 4. @@ -3212,15 +3212,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -3265,7 +3265,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FINALLY, INVERT POLARITY AND ENANTIOMER, @@ -3373,8 +3373,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.25E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 2 2 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 2 parameters @@ -3412,15 +3412,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -3465,7 +3465,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3517,8 +3517,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.28E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.28E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3559,15 +3559,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -3612,7 +3612,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3664,8 +3664,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3702,15 +3702,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3755,7 +3755,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3806,8 +3806,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 3. @@ -3848,15 +3848,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3901,7 +3901,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOW IMPORT AGS4, THE SHELX2013 TEST DATA @@ -4324,8 +4324,8 @@ LS-scale= 2.699 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.86E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.86E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 0.052 0.0E+00 0.335E-01 1.56 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.2 E-01 0.1 ENANTIO @@ -4367,12 +4367,12 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.001 0.002 0.006 [03] Reversals @@ -4417,42 +4417,42 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.045 0.093 0.310 0.149 0.109 0.632 Might be split @@ -4537,8 +4537,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.83E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.83E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 [13] LARGE 2 2 0.0 0.3E+00 0.2 E-01 0.0 ENANTIO for 56 parameters @@ -4583,12 +4583,12 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -4633,42 +4633,42 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.625 Might be split @@ -4753,8 +4753,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.82E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.82E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 for 56 parameters [64] The rms (shift/su) = 0. @@ -4794,12 +4794,12 @@ All cycle Rw 0.0 7.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [03] Reversals @@ -4844,42 +4844,42 @@ All cycle Rw 0.0 7.1 0.10E+03 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.624 Might be split diff --git a/test_suite/LINUXGH.org/fourier.out b/test_suite/LINUXGH.org/fourier.out index d3979ca2b..c08365b35 100644 --- a/test_suite/LINUXGH.org/fourier.out +++ b/test_suite/LINUXGH.org/fourier.out @@ -27951,8 +27951,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -27992,12 +27992,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -28042,57 +28042,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28174,8 +28174,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28219,12 +28219,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -28269,57 +28269,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28401,8 +28401,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28439,15 +28439,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -28492,57 +28492,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -28637,8 +28637,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -28681,12 +28681,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -28731,57 +28731,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28863,8 +28863,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -28908,12 +28908,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -28958,57 +28958,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29090,8 +29090,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29135,12 +29135,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -29185,57 +29185,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29317,8 +29317,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29359,15 +29359,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -29412,57 +29412,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -29559,8 +29559,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -29612,15 +29612,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29665,57 +29665,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29797,8 +29797,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -29843,15 +29843,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29896,57 +29896,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 diff --git a/test_suite/LINUXGH.org/geom.out b/test_suite/LINUXGH.org/geom.out index 4dd4198e6..56b9ebbce 100644 --- a/test_suite/LINUXGH.org/geom.out +++ b/test_suite/LINUXGH.org/geom.out @@ -189,9 +189,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 5.64 -0.82 -2.7 0.02 -0.00 0.00 -0.05 -0.06 0.11 -[35] -0.82 16.99 4.6 -0.00 0.03 -0.00 0.13 -0.06 0.04 -[35] -2.72 4.60 2.2 0.00 -0.00 0.03 -0.08 -0.38 0.11 +[35] 5.64 -0.82 -2.72 0.02 -0.00 0.00 -0.05 -0.06 0.11 +[35] -0.82 17.00 4.61 -0.00 0.03 -0.00 0.14 -0.06 0.05 +[35] -2.72 4.61 2.28 0.00 -0.00 0.03 -0.09 -0.39 0.11 @@ -216,9 +216,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.00 -0.00 0.14 -0.24 -0.28 -[35] 0.00 6.47 0.0 -0.00 0.02 0.00 0.05 0.00 0.08 -[35] 0.00 0.00 18.5 -0.00 0.00 0.02 0.13 0.04 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.00 -0.00 0.15 -0.24 -0.28 +[35] 0.00 6.47 0.00 -0.00 0.02 0.00 0.06 0.00 0.08 +[35] 0.00 0.00 18.51 -0.00 0.00 0.03 0.14 0.04 -0.15 @@ -237,9 +237,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.53 -0.62 0.14 0.00 0.00 -[35] 0.00 6.47 0.0 -0.53 0.88 1.01 0.00 0.00 0.00 -[35] 0.00 0.00 18.5 -0.62 1.01 1.21 0.00 0.00 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.54 -0.62 0.15 0.00 0.00 +[35] 0.00 6.47 0.00 -0.54 0.89 1.01 0.00 0.00 0.00 +[35] 0.00 0.00 18.51 -0.62 1.01 1.21 0.00 0.00 -0.15 diff --git a/test_suite/LINUXGH.org/hydro.out b/test_suite/LINUXGH.org/hydro.out index 2fe6eca46..a9eb13d37 100644 --- a/test_suite/LINUXGH.org/hydro.out +++ b/test_suite/LINUXGH.org/hydro.out @@ -172,6 +172,7 @@ Bonds: Update required - There is no list 41 List 5 now contains 18 atom(s) # NOTE THAT THE PHENYL GROUP IS REALLY BONDED TO C1 #PERHYDRO +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H23 C(1) N(1) C(6,1,1,0,1) H12 C(2) C(7) C(3) diff --git a/test_suite/LINUXGH.org/layers.out b/test_suite/LINUXGH.org/layers.out index f09257963..ffad4ee9b 100644 --- a/test_suite/LINUXGH.org/layers.out +++ b/test_suite/LINUXGH.org/layers.out @@ -413,8 +413,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -461,12 +461,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -522,57 +522,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -654,8 +654,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -710,12 +710,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -771,57 +771,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -903,8 +903,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -956,12 +956,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -1017,57 +1017,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1162,8 +1162,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -1214,12 +1214,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -1275,57 +1275,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1407,8 +1407,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -1460,12 +1460,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -1521,57 +1521,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1653,8 +1653,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -1703,15 +1703,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -1767,57 +1767,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1899,8 +1899,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -1952,12 +1952,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -2013,57 +2013,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2160,8 +2160,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -2224,15 +2224,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2288,57 +2288,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2420,8 +2420,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -2473,15 +2473,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2537,57 +2537,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -2961,6 +2961,7 @@ LS-scale= 1.673 Wilson Scale= 0.000 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -3229,8 +3230,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.77 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -3280,15 +3281,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3344,57 +3345,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3476,8 +3477,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -3526,15 +3527,15 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3590,57 +3591,57 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3722,8 +3723,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -3771,15 +3772,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3835,57 +3836,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -4291,8 +4292,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -4339,12 +4340,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -4400,57 +4401,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4532,8 +4533,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -4588,12 +4589,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -4649,57 +4650,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4781,8 +4782,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -4834,12 +4835,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -4895,57 +4896,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5040,8 +5041,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -5092,12 +5093,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -5153,57 +5154,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5285,8 +5286,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -5338,12 +5339,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -5399,57 +5400,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5531,8 +5532,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -5581,15 +5582,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -5645,57 +5646,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5777,8 +5778,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -5830,12 +5831,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -5891,57 +5892,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -6038,8 +6039,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -6102,15 +6103,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6166,57 +6167,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6298,8 +6299,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -6351,15 +6352,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6415,57 +6416,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -6475,7 +6476,7 @@ Inter cycle Rw -5.0 3.8 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 22 serial number 7 Address 125632 Length 318 Created on + Print list type 22 serial number 7 Address 126025 Length 318 Created on 74 parameter(s) in 1 block(s) - as follows: @@ -6567,7 +6568,7 @@ Inter cycle Rw -5.0 3.8 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 24 serial number 28 Address 129234 Length 168 Created on + Print list type 24 serial number 28 Address 129627 Length 168 Created on @@ -6706,6 +6707,7 @@ ___________ ___________ (3) NO #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -6837,6 +6839,7 @@ LS-scale= 1.673 Wilson Scale= 0.000 [91] - = -0.03 100*(-)/ = -0.47 #CYCLENDS #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -7105,8 +7108,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.76 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -7156,15 +7159,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7220,57 +7223,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7352,8 +7355,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -7402,15 +7405,15 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7466,57 +7469,57 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7598,8 +7601,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -7647,15 +7650,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7711,57 +7714,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -8167,8 +8170,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -8218,12 +8221,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -8279,57 +8282,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -8411,8 +8414,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -8465,12 +8468,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.019 0.044 [03] Reversals @@ -8526,57 +8529,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -8658,8 +8661,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -8712,12 +8715,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -8773,57 +8776,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -8918,8 +8921,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.49 E-02 2.2 C 4 U[ISO] @@ -8971,12 +8974,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -9032,57 +9035,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9164,8 +9167,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -9216,12 +9219,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -9277,57 +9280,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9409,8 +9412,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -9462,12 +9465,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -9523,57 +9526,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9655,8 +9658,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -9708,12 +9711,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -9769,57 +9772,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9916,8 +9919,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 370.0 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -9980,15 +9983,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 370. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10044,57 +10047,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10176,8 +10179,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 74.0 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -10232,15 +10235,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10296,57 +10299,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -10356,7 +10359,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 22 serial number 11 Address 187964 Length 318 Created on + Print list type 22 serial number 11 Address 188796 Length 318 Created on 74 parameter(s) in 1 block(s) - as follows: @@ -10448,7 +10451,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 24 serial number 44 Address 191566 Length 168 Created on + Print list type 24 serial number 44 Address 192398 Length 168 Created on @@ -10587,6 +10590,7 @@ ___________ ___________ (3) NO #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -10718,6 +10722,7 @@ LS-scale= 1.605 Wilson Scale= 0.000 [27] - = 0.2 100*(-)/ = 4. #CYCLENDS #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -10986,8 +10991,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.8 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.47 LAYER 1 @@ -11036,15 +11041,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11100,57 +11105,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11232,8 +11237,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -11287,15 +11292,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11351,57 +11356,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11483,8 +11488,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -11534,15 +11539,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11598,57 +11603,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -12054,8 +12059,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -12105,12 +12110,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -12166,57 +12171,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -12298,8 +12303,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -12352,12 +12357,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.020 0.044 [03] Reversals @@ -12413,57 +12418,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -12545,8 +12550,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -12599,12 +12604,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -12660,57 +12665,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -12805,8 +12810,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.50 E-02 2.2 C 4 U[ISO] @@ -12858,12 +12863,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -12919,57 +12924,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13051,8 +13056,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -13103,12 +13108,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -13164,57 +13169,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13296,8 +13301,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -13349,12 +13354,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -13410,57 +13415,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13542,8 +13547,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -13595,12 +13600,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -13656,57 +13661,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -13803,8 +13808,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 369.9 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -13867,15 +13872,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 369. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13931,57 +13936,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14063,8 +14068,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 73.9 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -14119,15 +14124,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14183,57 +14188,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14243,7 +14248,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 22 serial number 15 Address 250140 Length 318 Created on + Print list type 22 serial number 15 Address 251551 Length 318 Created on 74 parameter(s) in 1 block(s) - as follows: @@ -14335,7 +14340,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 24 serial number 60 Address 253742 Length 168 Created on + Print list type 24 serial number 60 Address 255153 Length 168 Created on @@ -14474,6 +14479,7 @@ ___________ ___________ (3) NO #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -14605,6 +14611,7 @@ LS-scale= 1.605 Wilson Scale= 0.000 [27] - = 0.2 100*(-)/ = 4. #CYCLENDS #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -14873,8 +14880,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.7 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.48 LAYER 1 @@ -14923,15 +14930,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14987,57 +14994,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15119,8 +15126,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -15174,15 +15181,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15238,57 +15245,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15370,8 +15377,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -15421,15 +15428,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15485,57 +15492,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGH.org/neutron.out b/test_suite/LINUXGH.org/neutron.out index 3cea9b18e..fc7f07bc9 100644 --- a/test_suite/LINUXGH.org/neutron.out +++ b/test_suite/LINUXGH.org/neutron.out @@ -397,8 +397,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -440,15 +440,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -493,97 +493,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -665,8 +665,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -710,12 +710,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -760,97 +760,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -932,8 +932,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -974,15 +974,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -1027,97 +1027,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1201,8 +1201,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1242,12 +1242,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -1292,97 +1292,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1464,8 +1464,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1509,12 +1509,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -1559,97 +1559,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1731,8 +1731,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1776,12 +1776,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1826,97 +1826,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1998,8 +1998,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -2036,15 +2036,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2089,97 +2089,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2276,8 +2276,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -2333,15 +2333,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2386,97 +2386,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2558,8 +2558,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -2602,15 +2602,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2655,97 +2655,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2828,8 +2828,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -2868,15 +2868,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -2921,97 +2921,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3093,8 +3093,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -3140,12 +3140,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -3190,97 +3190,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3465,6 +3465,7 @@ LS-scale= 0.312 Wilson Scale= 0.000 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -4021,8 +4022,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -4061,15 +4062,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4114,97 +4115,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4286,8 +4287,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -4330,15 +4331,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4383,97 +4384,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4555,8 +4556,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -4599,15 +4600,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4652,97 +4653,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -5128,8 +5129,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -5171,15 +5172,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -5224,97 +5225,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5396,8 +5397,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -5441,12 +5442,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -5491,97 +5492,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5663,8 +5664,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -5705,15 +5706,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -5758,97 +5759,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5932,8 +5933,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -5973,12 +5974,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -6023,97 +6024,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6195,8 +6196,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6240,12 +6241,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -6290,97 +6291,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6462,8 +6463,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6507,12 +6508,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6557,97 +6558,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6729,8 +6730,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6767,15 +6768,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6820,97 +6821,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7007,8 +7008,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -7064,15 +7065,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7117,97 +7118,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7289,8 +7290,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -7333,15 +7334,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7386,97 +7387,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7559,8 +7560,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -7599,15 +7600,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7652,97 +7653,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7824,8 +7825,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -7871,12 +7872,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7921,97 +7922,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8750,8 +8751,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -8790,15 +8791,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8843,97 +8844,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9015,8 +9016,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -9059,15 +9060,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9112,97 +9113,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9284,8 +9285,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -9328,15 +9329,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9381,97 +9382,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -9836,8 +9837,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -9898,15 +9899,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -9951,97 +9952,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -10123,8 +10124,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -10177,12 +10178,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -10227,97 +10228,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10399,8 +10400,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -10444,12 +10445,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -10494,97 +10495,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10668,8 +10669,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10709,12 +10710,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -10759,97 +10760,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10931,8 +10932,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10973,15 +10974,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11026,97 +11027,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11198,8 +11199,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -11236,15 +11237,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11289,97 +11290,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -11476,8 +11477,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -11536,15 +11537,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -11589,97 +11590,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11761,8 +11762,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -11808,12 +11809,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -11858,97 +11859,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12031,8 +12032,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -12071,15 +12072,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12124,97 +12125,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12296,8 +12297,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -12340,15 +12341,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12393,97 +12394,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12666,6 +12667,7 @@ LS-scale= 0.310 Wilson Scale= 0.000 List now contains 33 atoms #COLLECT #DISTANCE +Bonds: Update required - List5 length change THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -13247,8 +13249,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -13287,15 +13289,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13340,97 +13342,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13512,8 +13514,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -13556,15 +13558,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13609,97 +13611,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13781,8 +13783,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -13825,15 +13827,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13878,97 +13880,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -14333,8 +14335,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -14395,15 +14397,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -14448,97 +14450,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -14620,8 +14622,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -14674,12 +14676,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -14724,97 +14726,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14896,8 +14898,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -14941,12 +14943,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -14991,97 +14993,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15165,8 +15167,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15206,12 +15208,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -15256,97 +15258,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15428,8 +15430,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15470,15 +15472,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15523,97 +15525,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15695,8 +15697,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15733,15 +15735,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15786,97 +15788,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15973,8 +15975,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -16033,15 +16035,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -16086,97 +16088,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16258,8 +16260,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -16305,12 +16307,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -16355,97 +16357,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16528,8 +16530,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -16568,15 +16570,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16621,97 +16623,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16793,8 +16795,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -16837,15 +16839,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16890,97 +16892,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17744,8 +17746,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -17784,15 +17786,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17837,97 +17839,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18009,8 +18011,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -18053,15 +18055,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18106,97 +18108,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18278,8 +18280,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -18322,15 +18324,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18375,97 +18377,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGH.org/partial.out b/test_suite/LINUXGH.org/partial.out index 98715503d..1cd13f4be 100644 --- a/test_suite/LINUXGH.org/partial.out +++ b/test_suite/LINUXGH.org/partial.out @@ -365,8 +365,8 @@ LS-scale= 6.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.71E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 5.71E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 6E-04 S/ESD 1 1 -0.192 0.0E+00 0.182E-01 -10.60 SCALE [14] S/ESD 52 52 -0.033 0.0E+00 0.22 E-01 -1.4 C 5 U[33] [14] S/ESD 54 54 -0.013 0.0E+00 0.12 E-01 -1.1 C 5 U[13] @@ -432,12 +432,12 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.028 0.044 +[31] 0.044 0.028 0.044 [70] Maximum 0. 0.00 0.00 0.01 0.01 0.01 0.13 0.05 0.11 0.08 0.03 0.10 -[31] 0.189 0.127 0.136 +[31] 0.189 0.128 0.137 [03] Reversals @@ -482,167 +482,167 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.01 0.01 -[31] 0.030 0.031 0.025 +[31] 0.030 0.031 0.025 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.028 0.039 +[31] 0.033 0.028 0.040 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.029 0.033 +[31] 0.035 0.029 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 -[31] 0.028 0.040 0.043 +[31] 0.028 0.040 0.044 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.025 0.039 +[31] 0.033 0.026 0.040 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.03 -[31] 0.040 0.043 0.031 +[31] 0.041 0.044 0.032 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.036 0.025 0.049 +[31] 0.036 0.025 0.050 [37] C 13. 1.00 0.00 -0.16 -0.29 0.04 0.65 [37] 0.00 0.01 -0.01 0.00 0.13 0.05 0.00 -0.01 0.02 -0.10 [37] 0.00 0.00 0.00 0.00 0.10 0.08 0.03 0.04 0.05 0.08 -[31] 0.083 0.063 0.052 +[31] 0.083 0.064 0.052 [37] C 14. 1.00 0.00 -0.34 0.00 -0.11 0.12 [37] 0.00 0.00 0.00 -0.01 0.00 0.02 0.11 -0.08 0.03 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.07 0.06 0.04 0.03 -[31] 0.047 0.053 0.074 +[31] 0.048 0.053 0.075 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.13 [37] 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.040 0.027 0.049 +[31] 0.040 0.028 0.050 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.024 +[31] 0.028 0.022 0.025 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.021 +[31] 0.022 0.017 0.021 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.016 0.022 +[31] 0.022 0.017 0.022 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.017 0.021 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.022 0.018 0.025 +[31] 0.022 0.018 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -[31] 0.023 0.018 0.027 +[31] 0.023 0.018 0.027 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.017 0.023 +[31] 0.022 0.017 0.024 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.016 0.020 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.016 0.021 +[31] 0.021 0.017 0.021 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.025 0.022 0.025 +[31] 0.025 0.023 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.025 0.023 0.024 +[31] 0.026 0.024 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.026 0.031 +[31] 0.028 0.026 0.032 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.028 0.024 0.032 +[31] 0.028 0.024 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.024 0.033 +[31] 0.033 0.025 0.034 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.023 0.028 +[31] 0.030 0.023 0.029 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.027 0.019 0.032 +[31] 0.028 0.020 0.032 [37] C 122. 1.00 0.00 0.26 0.31 -0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.024 0.018 0.026 +[31] 0.025 0.019 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.024 0.029 +[31] 0.030 0.024 0.030 [37] C 124. 1.00 0.00 0.54 -0.54 0.58 0.14 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.03 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.023 0.036 +[31] 0.033 0.023 0.036 [37] O 109. 1.00 0.00 0.50 -0.41 0.58 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.014 0.019 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.014 +[31] 0.016 0.012 0.015 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.019 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.043 0.091 0.464 0.199 0.122 0.977 Might be split @@ -730,8 +730,8 @@ LS-scale= 6.236 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.30E-04 +[80a] Block No 1. Single precision relative error: 8E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8E-04 S/ESD 1 1 0.022 -0.1E+00 0.160E-01 1.36 SCALE [14a] LARGE 77 77 0.060 0.4E+00 0.10 E+00 0.5 C 13 U[11] [14] S/ESD 230 230 0.011 -0.5E+00 0.97 E-02 1.1 C 120 U[11] @@ -778,12 +778,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.011 0.009 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.06 0.03 0.02 0.01 0.01 0.04 -[31] 0.053 0.032 0.055 +[31] 0.053 0.032 0.055 [03] Reversals @@ -828,167 +828,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.028 0.021 +[31] 0.028 0.028 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.027 0.039 +[31] 0.033 0.027 0.039 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.030 0.033 +[31] 0.036 0.030 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 -[31] 0.026 0.038 0.038 +[31] 0.026 0.038 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.022 0.031 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.029 +[31] 0.038 0.042 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.023 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.71 [37] 0.00 0.00 0.00 0.00 0.06 0.03 0.00 0.00 0.00 -0.04 [37] 0.00 0.00 0.00 0.00 0.10 0.07 0.02 0.03 0.04 0.08 -[31] 0.084 0.061 0.047 +[31] 0.084 0.061 0.047 [37] C 14. 1.00 0.00 -0.34 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.08 0.06 0.04 0.03 -[31] 0.043 0.050 0.074 +[31] 0.043 0.051 0.074 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.046 +[31] 0.038 0.026 0.046 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.020 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.019 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.023 0.029 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.030 +[31] 0.027 0.022 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.031 +[31] 0.032 0.022 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.027 0.018 0.031 +[31] 0.027 0.019 0.031 [37] C 122. 1.00 0.00 0.26 0.31 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.017 0.026 +[31] 0.023 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.020 0.027 +[31] 0.028 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.15 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.033 0.020 0.037 +[31] 0.034 0.020 0.037 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.094 0.446 0.197 0.128 0.835 Might be split @@ -1076,8 +1076,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.06E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9.06E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1121,12 +1121,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.005 +[31] 0.005 0.003 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 -[31] 0.019 0.013 0.016 +[31] 0.020 0.013 0.017 [03] Reversals @@ -1171,167 +1171,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.028 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.028 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.038 0.039 +[31] 0.025 0.038 0.040 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.023 0.033 +[31] 0.030 0.024 0.034 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.042 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.047 +[31] 0.035 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.063 0.048 +[31] 0.088 0.064 0.048 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.04 0.03 -[31] 0.046 0.051 0.078 +[31] 0.046 0.051 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.026 0.047 +[31] 0.039 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.016 0.022 +[31] 0.021 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.026 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.022 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.022 0.032 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.021 0.026 +[31] 0.027 0.021 0.026 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.021 0.039 +[31] 0.035 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.049 0.095 0.447 0.197 0.128 0.859 Might be split @@ -1419,8 +1419,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.99E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.99E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1461,15 +1461,15 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.004 +[31] 0.002 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -[31] 0.006 0.005 0.018 +[31] 0.007 0.006 0.018 [03] Reversals @@ -1514,167 +1514,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.027 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.029 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.025 0.038 0.038 +[31] 0.025 0.039 0.039 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.023 0.032 +[31] 0.030 0.024 0.033 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.041 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.12 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.064 0.048 +[31] 0.089 0.064 0.049 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.046 0.052 0.080 +[31] 0.047 0.052 0.080 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.027 0.046 +[31] 0.040 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.025 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.022 0.024 +[31] 0.025 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.031 +[31] 0.028 0.022 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.021 0.031 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.021 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.036 0.021 0.041 +[31] 0.036 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.095 0.445 0.197 0.128 0.837 Might be split @@ -2420,8 +2420,8 @@ LS-scale= 6.259 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.90E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.90E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2461,12 +2461,12 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.005 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.00 -[31] 0.015 0.009 0.009 +[31] 0.016 0.009 0.009 [03] Reversals @@ -2511,167 +2511,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.025 0.034 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.037 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.031 +[31] 0.029 0.023 0.032 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.01 0.02 0.01 -[31] 0.033 0.022 0.046 +[31] 0.033 0.023 0.046 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.045 0.049 0.076 +[31] 0.046 0.050 0.077 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.038 0.026 0.044 +[31] 0.038 0.026 0.045 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.025 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.023 0.021 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.022 0.027 +[31] 0.025 0.023 0.027 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.026 0.021 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.030 +[31] 0.031 0.021 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.025 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.020 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.825 Might be split @@ -2759,8 +2759,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.76E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.76E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2801,15 +2801,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.011 +[31] 0.005 0.003 0.011 [03] Reversals @@ -2854,167 +2854,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.034 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.037 0.037 +[31] 0.024 0.037 0.037 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.030 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.046 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.020 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.833 Might be split @@ -3102,8 +3102,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.95E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.95E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3144,15 +3144,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.004 0.002 0.005 [03] Reversals @@ -3197,167 +3197,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.029 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.062 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.047 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split @@ -3445,8 +3445,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.77E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.77E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3483,15 +3483,15 @@ All cycle Rw 0.0 15. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.002 0.005 [03] Reversals @@ -3536,167 +3536,167 @@ All cycle Rw 0.0 15. 0.10E+03 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.037 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.046 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.10 0.06 0.05 0.03 -[31] 0.047 0.048 0.078 +[31] 0.047 0.049 0.079 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.021 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split diff --git a/test_suite/LINUXGH.org/regtest.out b/test_suite/LINUXGH.org/regtest.out index 43d1bd855..09e60d54d 100644 --- a/test_suite/LINUXGH.org/regtest.out +++ b/test_suite/LINUXGH.org/regtest.out @@ -2,6 +2,7 @@ #SET PRINT OFF #TITLE TEST 1 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -137,6 +138,7 @@ Summary of Deviations List 5 now contains 20 atom(s) #TITLE TEST 2 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -219,8 +221,6 @@ Uprime = U(med).U(max)/U(min), Watkin, Acta Cryst (2000) B56 747-749 Bond length deviations C1-C2 C101-C102 0.000 -test 2 Bond mismatch C 1 C 2 C 101 C 102 -{E Warning: bond mismatch C2-C3 C102-C103 0.000 C3-O4 C103-O104 0.000 O4-C5 O104-C105 0.000 @@ -310,6 +310,7 @@ Individual Delta 0.004 0.008 O4 - O104 #SET PRINT OFF #TITLE TEST 3 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -445,6 +446,7 @@ Summary of Deviations List 5 now contains 20 atom(s) #TITLE TEST 4 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -527,8 +529,6 @@ Uprime = U(med).U(max)/U(min), Watkin, Acta Cryst (2000) B56 747-749 Bond length deviations C1-C2 C101-C102 0.000 -test 4 Bond mismatch C 1 C 2 C 101 C 102 -{E Warning: bond mismatch C2-C3 C102-C103 0.000 C3-O4 C103-O104 0.000 O4-C5 O104-C105 0.000 @@ -619,6 +619,7 @@ Individual Delta 0.004 0.008 O4 - O104 #SET PRINT OFF #TITLE TEST 5 #REGULAR AUGMENT +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -831,8 +832,6 @@ Uprime = U(med).U(max)/U(min), Watkin, Acta Cryst (2000) B56 747-749 Bond length deviations C1-C2 C101-C102 0.000 -test 6 Bond mismatch C 1 C 2 C 101 C 102 -{E Warning: bond mismatch C2-C3 C102-C103 0.000 C3-O4 C103-O104 0.000 O4-C5 O104-C105 0.000 @@ -1124,8 +1123,6 @@ Uprime = U(med).U(max)/U(min), Watkin, Acta Cryst (2000) B56 747-749 Bond length deviations C1-C2 C101-C102 0.000 -test 8 Bond mismatch C 1 C 2 C 101 C 102 -{E Warning: bond mismatch C2-C3 C102-C103 0.000 C3-O4 C103-O104 0.000 O4-C5 O104-C105 0.000 @@ -1420,12 +1417,12 @@ Bond length deviations C1-C2 C101-C102 0.000 C2-C3 C102-C103 0.000 C3-O4 C103-O104 0.000 -C3-C5 C103-C105 0.000 +O4-C5 O104-C105 0.000 Torsion angles are omitted from the statistics if angles C-A-B or A-B-D are within 10.0 degrees of co-linearity Torsion Angles, Difference & Status, Terminal angles C1-C2-C3-O4 C101-C102-C103-O104 0.00 0.00 0.00 OK -C1-C2-C3-C5 C101-C102-C103-C105 0.00 0.00 0.00 OK +C2-C3-O4-C5 C102-C103-O104-C105 0.00 0.00 0.00 OK Summary of Deviations @@ -1711,12 +1708,12 @@ Bond length deviations C1-C2 C101-C102 0.000 C2-C3 C102-C103 0.000 C3-O4 C103-O104 0.000 -C3-C5 C103-C105 0.000 +O4-C5 O104-C105 0.000 Torsion angles are omitted from the statistics if angles C-A-B or A-B-D are within 10.0 degrees of co-linearity Torsion Angles, Difference & Status, Terminal angles C1-C2-C3-O4 C101-C102-C103-O104 0.00 0.00 0.00 OK -C1-C2-C3-C5 C101-C102-C103-C105 0.00 0.00 0.00 OK +C2-C3-O4-C5 C102-C103-O104-C105 0.00 0.00 0.00 OK Summary of Deviations @@ -1871,8 +1868,6 @@ Uprime = U(med).U(max)/U(min), Watkin, Acta Cryst (2000) B56 747-749 Bond length deviations C1-C2 C101-C102 0.000 -test 13 Bond mismatch C 1 C 2 C 101 C 102 -{E Warning: bond mismatch C2-C3 C102-C103 0.000 C3-O4 C103-O104 0.000 O4-C5 O104-C105 0.000 diff --git a/test_suite/LINUXGH.org/sgd464.out b/test_suite/LINUXGH.org/sgd464.out index b956ed1ca..1d66021cd 100644 --- a/test_suite/LINUXGH.org/sgd464.out +++ b/test_suite/LINUXGH.org/sgd464.out @@ -172,10 +172,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.7 0.0E+00 0.2 E+01 -0.3 ENANTIO [14] S/ESD 6 6 -0.018 0.0E+00 0.11 E-01 -1.7 CL 1 U[11] [14] S/ESD 24 24 0.021 0.0E+00 0.19 E-01 1.1 CL 3 U[11] @@ -218,15 +218,15 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [38] Mean -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.05 0.02 0.01 0.01 -[31] 0.010 0.016 0.015 +[31] 0.011 0.016 0.015 [03] Reversals @@ -271,147 +271,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.028 +[31] 0.030 0.030 0.028 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.099 0.096 0.090 +[31] 0.099 0.097 0.091 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.05 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.02 0.01 -[31] 0.040 0.040 0.052 +[31] 0.040 0.041 0.052 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.01 [37] 0.00 0.00 0.00 0.00 0.04 0.01 0.01 0.01 0.02 0.02 -[31] 0.049 0.044 0.035 +[31] 0.050 0.044 0.035 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.040 0.048 0.037 +[31] 0.040 0.049 0.038 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.061 0.054 +[31] 0.058 0.061 0.054 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.058 0.058 +[31] 0.060 0.059 0.059 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.043 0.044 +[31] 0.044 0.043 0.045 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.03 0.02 0.02 0.02 -[31] 0.068 0.061 0.064 +[31] 0.068 0.062 0.064 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.041 0.048 0.040 +[31] 0.042 0.049 0.040 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.060 0.061 0.061 +[31] 0.061 0.061 0.062 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.048 +[31] 0.049 0.053 0.049 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.062 0.055 +[31] 0.059 0.062 0.055 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.064 0.068 0.063 +[31] 0.065 0.069 0.063 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.045 0.045 0.045 +[31] 0.046 0.046 0.046 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.060 0.067 0.062 +[31] 0.061 0.067 0.063 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.061 0.066 0.060 +[31] 0.061 0.067 0.061 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.03 0.02 0.03 -[31] 0.066 0.075 0.068 +[31] 0.066 0.076 0.068 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.081 0.086 0.075 +[31] 0.082 0.086 0.075 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.078 0.086 0.073 +[31] 0.078 0.087 0.074 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.081 0.079 0.088 +[31] 0.082 0.079 0.088 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.065 0.069 0.070 +[31] 0.066 0.069 0.070 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.08 0.03 0.04 0.02 0.04 -[31] 0.076 0.110 0.069 +[31] 0.076 0.111 0.069 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.02 0.03 0.02 0.03 -[31] 0.067 0.081 0.061 +[31] 0.068 0.081 0.062 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.03 0.03 0.02 0.03 -[31] 0.068 0.076 0.074 +[31] 0.069 0.076 0.074 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.05 0.04 0.04 0.03 0.04 -[31] 0.073 0.098 0.078 +[31] 0.073 0.099 0.079 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.02 0.03 -[31] 0.077 0.093 0.066 +[31] 0.077 0.094 0.067 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.03 0.03 0.03 0.04 -[31] 0.089 0.087 0.074 +[31] 0.090 0.088 0.075 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.04 -[31] 0.077 0.091 0.071 +[31] 0.077 0.092 0.072 [84] Mean C-C su = 0.07 #CYCLENDS #SFLS @@ -495,10 +495,10 @@ LS-scale= 0.437 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+00 0.2 E+00 0.3 ENANTIO [14] S/ESD 24 24 0.010 0.5E+00 0.23 E-02 4.2 CL 3 U[11] [14] S/ESD 26 26 0.011 -0.2E+00 0.32 E-02 3.4 CL 3 U[33] @@ -538,15 +538,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.008 [03] Reversals @@ -591,147 +591,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -815,10 +815,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.6E+00 0.2 E+00 -0.2 ENANTIO for 263 parameters @@ -856,15 +856,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -909,147 +909,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1133,10 +1133,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -1177,12 +1177,12 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1227,147 +1227,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1451,10 +1451,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -1492,15 +1492,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1545,147 +1545,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -1703,16 +1703,16 @@ ___________ Atom CL(1), basis: CL(1),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.0 Uc[2,3]==0 Atom CL(3), basis: CL(3),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom CL(4), basis: CL(4),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -1872,8 +1872,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.81E-04 +[80a] Block No 1. Single precision relative error: 10E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 10E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+00 -0.2 ENANTIO [14] S/ESD 168 168 -0.011 0.0E+00 0.89 E-02 -1.2 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.75 E-02 1.8 C 19 U[33] @@ -1918,12 +1918,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.011 0.013 0.015 +[31] 0.011 0.013 0.016 [03] Reversals @@ -1968,147 +1968,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.021 0.020 0.019 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.010 +[31] 0.008 0.008 0.011 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.007 +[31] 0.010 0.009 0.007 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.013 +[31] 0.014 0.013 0.013 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.014 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.018 0.016 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.018 0.015 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.018 +[31] 0.017 0.016 0.018 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.022 0.014 +[31] 0.016 0.023 0.014 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.014 0.017 0.013 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.016 +[31] 0.015 0.020 0.016 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.019 0.014 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.015 +[31] 0.018 0.018 0.015 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.014 +[31] 0.016 0.019 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2192,10 +2192,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.15E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2.15E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -2233,15 +2233,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -2286,147 +2286,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2510,8 +2510,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.05E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.05E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 0.4E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -2552,12 +2552,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2602,147 +2602,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2826,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.07E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 -0.0 -0.5E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -2865,15 +2865,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2918,147 +2918,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3142,8 +3142,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.15E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.15E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 -0.2E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -3184,12 +3184,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.004 +[31] 0.002 0.004 0.004 [03] Reversals @@ -3234,147 +3234,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -3392,12 +3392,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -3557,10 +3557,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.73E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.23E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.23E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.11 E-01 1.1 C 19 U[33] [14] S/ESD 213 213 0.015 0.0E+00 0.80 E-02 1.8 C 24 U[11] @@ -3604,12 +3604,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.015 +[31] 0.011 0.014 0.015 [03] Reversals @@ -3654,147 +3654,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.029 +[31] 0.032 0.031 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.014 0.011 +[31] 0.016 0.015 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.019 0.019 0.019 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.020 +[31] 0.022 0.020 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.013 +[31] 0.013 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.015 +[31] 0.016 0.017 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.020 +[31] 0.020 0.022 0.020 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.019 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.025 0.022 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.028 0.024 +[31] 0.026 0.028 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.028 0.024 +[31] 0.025 0.028 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.025 0.028 +[31] 0.027 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.022 +[31] 0.021 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.024 0.036 0.022 +[31] 0.025 0.036 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.022 0.026 0.020 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.024 0.024 +[31] 0.022 0.025 0.024 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.025 +[31] 0.024 0.032 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.025 0.030 0.021 +[31] 0.025 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.028 0.024 +[31] 0.029 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.023 +[31] 0.025 0.030 0.023 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -3878,10 +3878,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.83E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.41E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.41E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -3922,12 +3922,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -3972,147 +3972,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4196,10 +4196,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.38E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.38E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.5E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4237,15 +4237,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.005 +[31] 0.003 0.003 0.005 [03] Reversals @@ -4290,147 +4290,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4514,10 +4514,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.91E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.55E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.55E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -4555,15 +4555,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -4608,147 +4608,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4832,10 +4832,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.82E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.39E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.39E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4876,12 +4876,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -4926,147 +4926,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -5084,12 +5084,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.0 Uc[2,3]=0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.0 Uc[2,3]=0 ___________ (1) NO ___________ @@ -5271,10 +5271,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.59E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.96E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.96E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 234 234 -0.022 0.0E+00 0.42 E-02 -5.2 C 26 U[23] [14] S/ESD 252 252 0.013 0.0E+00 0.38 E-02 3.4 C 28 U[23] @@ -5318,12 +5318,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.02 0.00 0.01 -[31] 0.009 0.013 0.015 +[31] 0.010 0.013 0.016 [03] Reversals @@ -5368,147 +5368,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.071 0.069 0.065 +[31] 0.072 0.070 0.066 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.03 0.01 0.01 0.01 -[31] 0.028 0.029 0.037 +[31] 0.029 0.029 0.038 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.02 -[31] 0.035 0.032 0.025 +[31] 0.036 0.032 0.025 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.035 0.027 +[31] 0.029 0.035 0.027 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.044 0.039 +[31] 0.042 0.044 0.039 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.042 0.042 +[31] 0.043 0.042 0.042 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.031 0.032 +[31] 0.032 0.031 0.032 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.049 0.044 0.046 +[31] 0.049 0.044 0.046 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.035 0.029 +[31] 0.030 0.035 0.029 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.044 0.044 +[31] 0.044 0.044 0.045 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.038 0.035 +[31] 0.035 0.038 0.035 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.045 0.039 +[31] 0.043 0.045 0.040 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.046 0.049 0.045 +[31] 0.047 0.050 0.046 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.033 +[31] 0.033 0.033 0.033 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.048 0.045 +[31] 0.044 0.048 0.045 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.044 0.048 0.043 +[31] 0.044 0.048 0.044 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.054 0.049 +[31] 0.048 0.055 0.049 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.062 0.054 +[31] 0.059 0.062 0.055 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.056 0.062 0.053 +[31] 0.057 0.063 0.053 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.057 0.063 +[31] 0.059 0.057 0.064 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.047 0.050 0.050 +[31] 0.048 0.050 0.051 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.03 -[31] 0.055 0.080 0.049 +[31] 0.055 0.080 0.050 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.00 0.00 -[31] 0.048 0.058 0.044 +[31] 0.049 0.059 0.045 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.049 0.054 0.053 +[31] 0.050 0.055 0.054 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.052 0.071 0.056 +[31] 0.053 0.071 0.057 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.01 0.00 -[31] 0.055 0.067 0.048 +[31] 0.056 0.068 0.048 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.00 0.01 0.00 -[31] 0.064 0.063 0.054 +[31] 0.065 0.063 0.054 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.055 0.066 0.052 +[31] 0.056 0.066 0.052 [84] Mean C-C su = 0.05 #CYCLENDS #SFLS @@ -5592,10 +5592,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.48E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.75E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.75E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.2 ENANTIO for 263 parameters @@ -5636,12 +5636,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.006 +[31] 0.006 0.005 0.007 [03] Reversals @@ -5686,147 +5686,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5910,10 +5910,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.57E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.92E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.92E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -5951,15 +5951,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -6004,147 +6004,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6228,10 +6228,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.54E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.86E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.86E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6272,12 +6272,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -6322,147 +6322,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.008 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6546,10 +6546,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.26E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.26E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.8E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6587,15 +6587,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -6640,147 +6640,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.010 0.011 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.009 +[31] 0.010 0.014 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -6798,34 +6798,34 @@ ___________ Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.0 Ul_13 = 0.0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-07 0E+00 4E-07 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 4E-07 0E+00 4E-07 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.0 Ul_13 = 0.0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-06 0E+00 8E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 8E-06 0E+00 8E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_13 = 0.0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-06 0E+00 7E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 7E-06 0E+00 7E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.0 Ul_13 = 0.0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_13 = 0.0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.0 Ul_13 = 0.0 ___________ (1) NO ___________ @@ -6987,8 +6987,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3.35E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.2 E+00 -0.4 ENANTIO [14] S/ESD 168 168 -0.010 0.0E+00 0.53 E-02 -2.0 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.45 E-02 2.9 C 19 U[33] @@ -7034,12 +7034,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.016 +[31] 0.010 0.013 0.017 [03] Reversals @@ -7084,147 +7084,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7308,8 +7308,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -7347,15 +7347,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.004 0.006 [03] Reversals @@ -7400,147 +7400,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7624,8 +7624,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4.39E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -7663,15 +7663,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -7716,147 +7716,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7940,8 +7940,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.3E+01 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -7979,15 +7979,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -8032,147 +8032,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8256,8 +8256,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -8298,12 +8298,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8348,147 +8348,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -8506,14 +8506,14 @@ ___________ Atom C(7), basis: C(7),C(9) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 Atom C(9), basis: C(9),C(11) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 ___________ (1) NO ___________ @@ -8690,8 +8690,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.85E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.85E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 213 213 0.021 0.0E+00 0.64 E-03 32.9 C 24 U[11] [14] S/ESD 232 232 -0.022 0.0E+00 0.65 E-03 -34.8 C 26 U[22] @@ -8735,12 +8735,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.00 0.01 -[31] 0.012 0.016 0.015 +[31] 0.012 0.016 0.015 [03] Reversals @@ -8785,147 +8785,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.019 0.018 +[31] 0.019 0.020 0.018 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.03 -[31] 0.064 0.062 0.058 +[31] 0.064 0.062 0.059 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.025 0.026 0.033 +[31] 0.026 0.026 0.034 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.031 0.028 0.022 +[31] 0.032 0.029 0.023 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.031 0.024 +[31] 0.026 0.032 0.024 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.037 0.039 0.034 +[31] 0.038 0.040 0.035 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.037 0.037 +[31] 0.038 0.038 0.038 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.027 0.028 +[31] 0.028 0.028 0.029 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.039 0.041 +[31] 0.044 0.040 0.041 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.031 0.026 +[31] 0.027 0.031 0.026 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.039 0.039 0.039 +[31] 0.039 0.039 0.040 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.034 0.031 +[31] 0.032 0.034 0.032 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.040 0.035 +[31] 0.038 0.040 0.036 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.041 0.044 0.040 +[31] 0.042 0.044 0.041 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.030 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.040 +[31] 0.039 0.043 0.041 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.039 +[31] 0.039 0.043 0.039 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.048 0.044 +[31] 0.043 0.049 0.044 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.052 0.055 0.048 +[31] 0.052 0.056 0.049 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.050 0.055 0.047 +[31] 0.051 0.056 0.048 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.052 0.051 0.056 +[31] 0.053 0.051 0.057 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.044 0.045 +[31] 0.043 0.045 0.045 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.02 -[31] 0.049 0.071 0.044 +[31] 0.049 0.071 0.044 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.043 0.052 0.039 +[31] 0.044 0.052 0.040 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.044 0.048 0.047 +[31] 0.044 0.049 0.048 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.047 0.063 0.050 +[31] 0.047 0.063 0.051 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.060 0.043 +[31] 0.050 0.060 0.043 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.057 0.056 0.048 +[31] 0.058 0.057 0.048 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.059 0.046 +[31] 0.050 0.059 0.046 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -9009,8 +9009,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9051,12 +9051,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.006 [03] Reversals @@ -9101,147 +9101,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9325,8 +9325,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 0.6E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9364,15 +9364,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [03] Reversals @@ -9417,147 +9417,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9641,8 +9641,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.2E+02 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -9680,15 +9680,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.003 [03] Reversals @@ -9733,147 +9733,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9957,8 +9957,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.81E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.81E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -9996,15 +9996,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -10049,147 +10049,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -10208,28 +10208,28 @@ CONT C(26) TO C(27) TO C(28) Atom C(24), basis: C(24),C(25),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.0 U13_local - == 0 Atom C(25), basis: C(25),C(26),C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.0 U13_local - == 0 Atom C(26), basis: C(26),C(27),C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.0 U13_local - == 0 ___________ (1) NO ___________ @@ -10397,10 +10397,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.98E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.69E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.69E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 9 9 -0.012 0.0E+00 0.49 E-02 -2.5 CL 1 U[23] @@ -10442,12 +10442,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.011 0.012 0.018 +[31] 0.011 0.012 0.018 [03] Reversals @@ -10492,147 +10492,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.024 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.045 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -10716,10 +10716,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.4E+00 0.3 E+00 0.1 ENANTIO for 263 parameters @@ -10760,12 +10760,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -10810,147 +10810,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.017 0.017 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.007 0.007 0.009 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.006 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.007 0.009 0.007 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.012 0.011 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.013 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.013 0.016 0.014 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.013 0.013 0.015 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.012 +[31] 0.013 0.020 0.012 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.011 +[31] 0.012 0.014 0.011 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.012 0.013 0.013 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.013 +[31] 0.013 0.018 0.013 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.012 +[31] 0.014 0.016 0.012 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.012 +[31] 0.015 0.016 0.013 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.017 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11034,10 +11034,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.20E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.20E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.1E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -11078,12 +11078,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -11128,147 +11128,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.013 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.007 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.007 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.016 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.013 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11352,10 +11352,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.44E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.68E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.68E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.9E+01 0.6 E+00 0.0 ENANTIO [14] S/ESD 11 11 -0.012 -0.9E+01 0.41 E-02 -2.8 CL 1 U[12] @@ -11397,12 +11397,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.004 0.006 0.002 +[31] 0.005 0.006 0.003 [03] Reversals @@ -11447,147 +11447,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.031 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.012 0.012 0.016 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.015 0.014 0.011 +[31] 0.015 0.014 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.017 +[31] 0.019 0.020 0.017 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.020 0.020 0.018 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.020 0.020 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.017 0.015 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.021 0.021 0.019 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.021 0.020 +[31] 0.021 0.021 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.019 0.020 0.019 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.028 0.026 +[31] 0.024 0.029 0.026 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.026 0.023 +[31] 0.026 0.027 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.025 0.026 +[31] 0.025 0.025 0.026 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.023 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.023 0.036 0.022 +[31] 0.024 0.037 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.023 0.024 +[31] 0.023 0.024 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.024 +[31] 0.024 0.032 0.024 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.026 0.029 0.021 +[31] 0.026 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.029 0.023 +[31] 0.028 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -11671,10 +11671,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.74E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.4E+01 0.7 E+00 -0.0 ENANTIO for 263 parameters @@ -11712,15 +11712,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.004 [03] Reversals @@ -11765,147 +11765,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.010 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.035 0.033 0.032 +[31] 0.035 0.034 0.033 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.014 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.012 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.013 +[31] 0.014 0.017 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.020 0.021 0.019 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.020 +[31] 0.022 0.021 0.020 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.016 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.021 +[31] 0.023 0.022 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.015 0.017 0.014 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.022 +[31] 0.022 0.022 0.022 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.017 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.022 0.023 0.020 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.022 +[31] 0.022 0.022 0.022 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.022 0.024 0.022 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.023 0.026 0.024 +[31] 0.023 0.027 0.025 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.027 +[31] 0.026 0.031 0.028 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.028 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.027 0.027 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.023 0.025 +[31] 0.024 0.024 0.025 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.03 0.01 0.01 0.00 0.01 -[31] 0.026 0.039 0.024 +[31] 0.026 0.040 0.024 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.028 0.022 +[31] 0.024 0.029 0.022 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.026 +[31] 0.025 0.025 0.026 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.025 0.034 0.026 +[31] 0.025 0.035 0.027 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.031 0.023 +[31] 0.028 0.032 0.024 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.031 0.026 +[31] 0.030 0.032 0.026 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.033 0.026 +[31] 0.028 0.033 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SET MONITOR ON @@ -11929,14 +11929,14 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 ___________ (1) NO ___________ @@ -12110,8 +12110,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.13E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.13E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+01 -0.0 ENANTIO [14] S/ESD 6 6 -0.014 0.0E+00 0.22 E-02 -6.4 CL 1 U[11] [14] S/ESD 9 9 -0.026 0.0E+00 0.13 E-02 -19.7 CL 1 U[23] @@ -12160,12 +12160,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.04 0.06 0.02 0.04 0.01 -[31] 0.013 0.018 0.021 +[31] 0.014 0.018 0.022 [03] Reversals @@ -12210,147 +12210,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.063 0.058 +[31] 0.062 0.064 0.059 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.12 0.12 0.10 0.09 0.09 0.10 -[31] 0.207 0.201 0.190 +[31] 0.207 0.202 0.190 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.03 0.04 -0.06 -0.02 0.04 0.00 [37] 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.085 0.109 +[31] 0.084 0.085 0.110 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.08 0.06 0.04 0.04 0.05 0.06 -[31] 0.103 0.093 0.073 +[31] 0.104 0.093 0.074 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.03 0.04 -[31] 0.084 0.102 0.079 +[31] 0.084 0.102 0.079 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.122 0.128 0.113 +[31] 0.122 0.129 0.113 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.124 0.123 0.122 +[31] 0.125 0.123 0.123 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.092 0.090 0.093 +[31] 0.092 0.090 0.094 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.07 0.05 0.06 0.04 0.05 0.05 -[31] 0.142 0.129 0.134 +[31] 0.143 0.129 0.134 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.04 0.03 0.04 -[31] 0.087 0.102 0.084 +[31] 0.087 0.102 0.085 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.04 0.05 0.04 -[31] 0.127 0.128 0.129 +[31] 0.127 0.128 0.130 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.03 0.04 -[31] 0.102 0.110 0.102 +[31] 0.103 0.111 0.102 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.123 0.130 0.115 +[31] 0.123 0.131 0.115 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.135 0.144 0.132 +[31] 0.136 0.144 0.132 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.05 0.04 0.04 0.04 -[31] 0.096 0.095 0.096 +[31] 0.096 0.096 0.096 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.127 0.140 0.131 +[31] 0.127 0.140 0.132 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.05 0.04 0.05 -[31] 0.127 0.140 0.127 +[31] 0.128 0.140 0.127 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.07 0.06 0.05 0.06 -[31] 0.138 0.158 0.143 +[31] 0.139 0.158 0.143 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.09 0.09 0.07 0.07 0.06 0.07 -[31] 0.170 0.181 0.158 +[31] 0.171 0.181 0.158 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.07 -[31] 0.164 0.181 0.154 +[31] 0.164 0.181 0.155 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.09 0.10 0.07 0.07 0.07 -[31] 0.171 0.166 0.184 +[31] 0.172 0.166 0.184 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.07 0.06 0.05 0.05 -[31] 0.138 0.145 0.146 +[31] 0.138 0.145 0.147 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.01 0.02 0.01 0.08 0.17 0.06 0.08 0.05 0.09 -[31] 0.159 0.232 0.144 +[31] 0.160 0.232 0.145 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.10 0.06 0.06 0.05 0.06 -[31] 0.141 0.169 0.129 +[31] 0.142 0.170 0.130 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.08 0.07 0.06 0.06 -[31] 0.144 0.159 0.155 +[31] 0.144 0.159 0.156 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.11 0.09 0.09 0.06 0.08 -[31] 0.153 0.206 0.165 +[31] 0.154 0.207 0.165 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.11 0.06 0.07 0.05 0.08 -[31] 0.161 0.196 0.140 +[31] 0.162 0.196 0.140 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.10 0.09 0.07 0.07 0.07 0.08 -[31] 0.187 0.183 0.156 +[31] 0.188 0.184 0.157 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.08 -[31] 0.161 0.191 0.150 +[31] 0.162 0.192 0.151 [84] Mean C-C su = 0.15 #CYCLENDS #SFLS @@ -12434,8 +12434,8 @@ LS-scale= 0.447 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -12476,12 +12476,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.010 0.007 0.006 [03] Reversals @@ -12526,147 +12526,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.014 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12750,8 +12750,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -12792,12 +12792,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -12842,147 +12842,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13066,8 +13066,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.8E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -13105,15 +13105,15 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -13158,147 +13158,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13382,8 +13382,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -13424,12 +13424,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.001 0.004 [03] Reversals @@ -13474,147 +13474,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -13638,20 +13638,20 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 -5E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 -5E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 -2E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 -2E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 ___________ (1) NO ___________ @@ -13809,8 +13809,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.06E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.06E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.014 0.0E+00 0.84 E-02 1.7 CL 1 U[11] [14] S/ESD 7 7 0.019 0.0E+00 0.69 E-02 2.8 CL 1 U[22] @@ -13856,12 +13856,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.013 0.017 0.019 +[31] 0.014 0.017 0.020 [03] Reversals @@ -13906,147 +13906,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.025 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.046 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -14130,8 +14130,8 @@ LS-scale= 0.444 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.1E+01 0.2 E+00 0.6 ENANTIO for 263 parameters @@ -14172,12 +14172,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.010 0.006 [03] Reversals @@ -14222,147 +14222,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14446,8 +14446,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.80E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.1E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -14485,15 +14485,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -14538,147 +14538,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14762,8 +14762,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.73E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.73E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -14801,15 +14801,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -14854,147 +14854,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.013 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15078,8 +15078,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -15120,12 +15120,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -15170,147 +15170,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -15328,10 +15328,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 1.0 U_geom = _geom Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 1E-04 1.0 U_geom = _geom ___________ (1) NO ___________ @@ -15489,8 +15489,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.07E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 S/ESD 1 1 0.012 0.0E+00 0.691E-02 1.73 SCALE [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.024 0.0E+00 0.95 E-02 2.5 CL 1 U[11] @@ -15538,12 +15538,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.04 0.01 0.01 0.01 -[31] 0.014 0.018 0.018 +[31] 0.014 0.019 0.019 [03] Reversals @@ -15588,147 +15588,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.018 0.018 0.017 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.058 0.054 +[31] 0.060 0.058 0.055 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 -0.04 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.031 +[31] 0.024 0.025 0.032 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.026 0.021 +[31] 0.030 0.027 0.021 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.029 0.022 +[31] 0.024 0.029 0.023 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.032 +[31] 0.035 0.037 0.033 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.035 0.035 +[31] 0.036 0.035 0.035 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.026 0.027 +[31] 0.026 0.026 0.027 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.041 0.037 0.038 +[31] 0.041 0.037 0.039 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.024 +[31] 0.025 0.029 0.024 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.036 0.037 +[31] 0.037 0.037 0.037 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.029 +[31] 0.029 0.032 0.029 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.033 +[31] 0.035 0.037 0.033 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.041 0.038 +[31] 0.039 0.041 0.038 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.027 0.027 +[31] 0.028 0.028 0.028 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.037 +[31] 0.036 0.040 0.038 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.036 +[31] 0.037 0.040 0.036 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.045 0.041 +[31] 0.040 0.046 0.041 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.045 +[31] 0.049 0.052 0.045 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.052 0.044 +[31] 0.047 0.052 0.044 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.047 0.053 +[31] 0.049 0.048 0.053 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.041 0.042 +[31] 0.040 0.042 0.042 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.045 0.066 0.041 +[31] 0.046 0.067 0.042 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.048 0.037 +[31] 0.041 0.049 0.037 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.041 0.045 0.044 +[31] 0.042 0.046 0.045 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.044 0.059 0.047 +[31] 0.044 0.059 0.048 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.02 0.01 0.02 -[31] 0.046 0.056 0.040 +[31] 0.046 0.056 0.040 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.02 0.02 0.02 -[31] 0.054 0.052 0.045 +[31] 0.054 0.053 0.045 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.046 0.055 0.043 +[31] 0.046 0.055 0.043 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -15812,8 +15812,8 @@ LS-scale= 0.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.77E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.77E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.7E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -15854,12 +15854,12 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.005 +[31] 0.007 0.008 0.005 [03] Reversals @@ -15904,147 +15904,147 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16128,8 +16128,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -16167,15 +16167,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -16220,147 +16220,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16444,8 +16444,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16483,15 +16483,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16536,147 +16536,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16760,8 +16760,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16802,12 +16802,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16852,147 +16852,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -17010,10 +17010,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 1.0 U_eq = _eq Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 1E-04 1.0 U_eq = _eq ___________ (1) NO ___________ @@ -17218,8 +17218,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.12 E-01 1.0 C 19 U[33] @@ -17261,12 +17261,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.009 0.012 0.017 +[31] 0.010 0.013 0.017 [03] Reversals @@ -17311,147 +17311,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.030 +[31] 0.033 0.032 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.011 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.013 0.016 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.020 0.020 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.015 0.015 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.021 +[31] 0.023 0.021 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.023 0.021 +[31] 0.022 0.023 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.022 0.025 0.022 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.027 0.029 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.029 0.024 +[31] 0.026 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.028 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.023 0.023 +[31] 0.022 0.023 0.024 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.025 0.037 0.023 +[31] 0.025 0.037 0.023 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.024 +[31] 0.023 0.025 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.032 0.026 +[31] 0.025 0.033 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.031 0.022 +[31] 0.026 0.031 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.025 +[31] 0.030 0.029 0.025 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -17535,8 +17535,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -17574,15 +17574,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.005 0.004 0.005 [03] Reversals @@ -17627,147 +17627,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17851,8 +17851,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.4E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -17893,12 +17893,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.002 0.002 0.004 [03] Reversals @@ -17943,147 +17943,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18167,8 +18167,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18206,15 +18206,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [03] Reversals @@ -18259,147 +18259,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18483,8 +18483,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -18525,12 +18525,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.001 0.003 [03] Reversals @@ -18575,147 +18575,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18799,8 +18799,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18838,15 +18838,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -18891,147 +18891,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19115,8 +19115,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19157,12 +19157,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -19207,147 +19207,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19431,8 +19431,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -19470,15 +19470,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19523,147 +19523,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19747,8 +19747,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19789,12 +19789,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19839,147 +19839,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20063,8 +20063,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.2E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -20102,15 +20102,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -20155,147 +20155,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -20318,52 +20318,52 @@ T tensor: Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.0 U13 - Utls13 == 0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.0 U13 - Utls13 == 0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.0 U13 - Utls13 == 0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.0 U13 - Utls13 == 0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.0 U13 - Utls13 == 0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.0 U13 - Utls13 == 0 ___________ (1) NO ___________ diff --git a/test_suite/LINUXGH.org/shapering.out b/test_suite/LINUXGH.org/shapering.out index 79be7c17b..f4e537359 100644 --- a/test_suite/LINUXGH.org/shapering.out +++ b/test_suite/LINUXGH.org/shapering.out @@ -224,8 +224,8 @@ LS-scale= 6.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.066 0.0E+00 0.124E-01 5.32 SCALE [14] S/ESD 29 29 0.011 0.0E+00 0.78 E-02 1.4 C 13 Z @@ -267,12 +267,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.021 0.052 +[31] 0.038 0.022 0.052 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.076 0.043 0.102 +[31] 0.077 0.043 0.102 [03] Reversals @@ -317,62 +317,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.046 0.037 0.046 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.045 0.037 0.045 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.45 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.068 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 15. 0.42 1.00 -0.27 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0680 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -461,8 +461,8 @@ LS-scale= 6.358 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.08E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.08E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -503,15 +503,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.014 +[31] 0.019 0.019 0.015 [03] Reversals @@ -556,62 +556,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0548 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0016 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -700,8 +700,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.02E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -745,12 +745,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.008 [03] Reversals @@ -795,62 +795,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -939,8 +939,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.00E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.00E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -997,15 +997,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.005 0.002 +[31] 0.003 0.005 0.002 [03] Reversals @@ -1050,62 +1050,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1215,10 +1215,10 @@ LS-scale= 5.759 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.49E-12 -[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2.49E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2E-12 [13] LARGE 1 1 0.6 0.0E+00 0.1 E-01 32.5 SCALE [14] S/ESD 2 2 0.409 0.0E+00 0.60 E-01 6.7 C 1 OCC Composite @@ -1404,15 +1404,15 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [38] Mean 0.61 0.31 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.027 0.025 +[31] 0.032 0.028 0.026 [71] R.M.S. 0. 0.33 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.227 0.146 0.133 +[31] 0.227 0.147 0.134 [70] Maximum 0. 0.40 0.04 0.03 0.02 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.410 0.262 0.295 +[31] 0.410 0.262 0.295 [03] Reversals @@ -1457,62 +1457,62 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [37] C 1. 0.93 1.00 -0.13 -0.10 -0.29 0.10 [73] 0.40 -0.01 0.00 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 2. 0.93 1.00 -0.11 -0.20 -0.18 0.10 [73] 0.40 -0.00 0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.074 [37] C 3. 0.93 1.00 -0.19 -0.20 -0.10 0.10 [73] 0.40 -0.02 -0.02 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.075 +[31] 0.074 0.057 0.076 [37] C 4. 0.93 1.00 -0.26 -0.05 -0.17 0.10 [73] 0.40 -0.01 0.00 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.072 0.059 0.073 +[31] 0.072 0.059 0.074 [37] C 5. 0.93 1.00 -0.21 -0.01 -0.28 0.10 [73] 0.40 0.01 -0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.074 0.059 0.072 [37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 [73] 0.22 0.03 0.00 -0.01 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.199 0.161 0.200 +[31] 0.199 0.162 0.200 [37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 [73] 0.22 0.01 0.01 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.196 0.160 0.191 +[31] 0.196 0.160 0.192 [37] C 13. 0.54 1.00 -0.18 -0.26 0.04 0.11 [73] 0.22 -0.00 0.02 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.202 0.162 0.196 +[31] 0.202 0.162 0.197 [37] C 14. 0.54 1.00 -0.34 0.00 -0.09 0.11 [73] 0.22 -0.02 -0.01 -0.03 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.204 0.159 0.203 +[31] 0.205 0.160 0.203 [37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 [73] 0.22 0.03 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.201 0.158 0.199 +[31] 0.201 0.158 0.200 [37] C 100. 0.30 4.00 -0.15 -0.09 -0.18 0.05 -2.0452 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.30 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [37] C 200. 2.26 4.00 -0.15 -0.09 -0.19 0.06 -1.1286 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.23 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [84] Mean C-C su = 0.10 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1601,8 +1601,8 @@ LS-scale= 6.368 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.69E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.69E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.155 -0.4E+00 0.46 E-01 -3.3 C 1 OCC Composite @@ -1785,15 +1785,15 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [38] Mean 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.020 0.019 +[31] 0.024 0.020 0.019 [71] R.M.S. 0. 0.14 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.080 0.113 +[31] 0.084 0.080 0.114 [70] Maximum 0. 0.15 0.03 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.180 0.151 0.261 +[31] 0.181 0.151 0.261 [03] Reversals @@ -1838,62 +1838,62 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 0.78 1.00 -0.13 -0.10 -0.31 0.07 [73] -0.15 0.00 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 2. 0.78 1.00 -0.11 -0.21 -0.19 0.07 [73] -0.15 -0.00 -0.01 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.032 0.042 +[31] 0.044 0.033 0.043 [37] C 3. 0.78 1.00 -0.17 -0.18 -0.09 0.07 [73] -0.15 0.01 0.01 0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 4. 0.78 1.00 -0.25 -0.05 -0.17 0.07 [73] -0.15 0.00 -0.00 -0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.78 1.00 -0.22 0.00 -0.29 0.07 [73] -0.15 -0.01 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.034 0.041 +[31] 0.041 0.035 0.041 [37] C 11. 0.41 1.00 -0.07 -0.05 -0.44 0.10 [73] -0.13 0.00 0.00 0.02 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.070 0.056 0.069 [37] C 12. 0.41 1.00 0.00 -0.31 -0.14 0.10 [73] -0.13 0.00 -0.00 0.01 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.069 +[31] 0.071 0.058 0.070 [37] C 13. 0.41 1.00 -0.18 -0.25 0.04 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 14. 0.41 1.00 -0.33 0.00 -0.08 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.073 0.057 0.071 [37] C 15. 0.41 1.00 -0.24 0.15 -0.36 0.10 [73] -0.13 -0.00 0.01 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 100. 1.08 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.77 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.23 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.91 4.00 -0.17 -0.10 -0.20 0.05 [22] 0.65 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.15 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1982,8 +1982,8 @@ LS-scale= 6.366 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.97E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.97E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.226 0.1E+01 0.40 E-01 -5.5 C 1 OCC Composite @@ -2157,15 +2157,15 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [38] Mean 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.017 +[31] 0.021 0.018 0.017 [71] R.M.S. 0. 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.054 0.043 +[31] 0.072 0.054 0.044 [70] Maximum 0. 0.22 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.154 0.101 0.075 +[31] 0.155 0.102 0.075 [03] Reversals @@ -2210,62 +2210,62 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [37] C 1. 0.55 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.22 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 2. 0.55 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.22 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.033 +[31] 0.034 0.026 0.033 [37] C 3. 0.55 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.22 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.033 +[31] 0.033 0.026 0.033 [37] C 4. 0.55 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.22 0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 5. 0.55 1.00 -0.22 0.00 -0.29 0.06 [73] -0.22 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.03 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 [73] -0.03 0.00 0.01 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.076 +[31] 0.078 0.063 0.077 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.081 0.064 0.080 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.062 0.079 +[31] 0.080 0.063 0.079 [37] C 15. 0.38 1.00 -0.24 0.15 -0.36 0.09 [73] -0.03 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.079 +[31] 0.079 0.063 0.079 [37] C 100. 2.21 4.00 -0.17 -0.11 -0.20 0.03 [22] 1.13 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.20 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.15 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.13 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2354,8 +2354,8 @@ LS-scale= 6.361 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.039 0.2E+00 0.35 E-01 -1.0 C 1 OCC Composite @@ -2417,15 +2417,15 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [38] Mean 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.045 0.039 0.031 +[31] 0.046 0.039 0.032 [70] Maximum 0. 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.086 0.076 0.052 +[31] 0.086 0.076 0.053 [03] Reversals @@ -2470,62 +2470,62 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.042 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 4. 0.51 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.043 [37] C 5. 0.51 1.00 -0.21 0.00 -0.28 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.042 [37] C 11. 0.36 1.00 -0.08 -0.06 -0.45 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.36 1.00 0.01 -0.31 -0.14 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.36 1.00 -0.16 -0.25 0.05 0.09 [73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.062 0.077 [37] C 14. 0.36 1.00 -0.32 0.01 -0.07 0.09 [73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 15. 0.36 1.00 -0.25 0.14 -0.37 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.41 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.19 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.07 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2615,8 +2615,8 @@ LS-scale= 6.360 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.02E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.02E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2656,12 +2656,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.008 +[31] 0.012 0.014 0.009 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.031 0.019 +[31] 0.025 0.031 0.019 [03] Reversals @@ -2706,62 +2706,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.037 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.079 +[31] 0.081 0.065 0.080 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.079 0.064 0.078 [37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.082 0.065 0.080 [37] C 14. 0.37 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.063 0.080 +[31] 0.081 0.064 0.080 [37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.080 +[31] 0.081 0.064 0.080 [37] C 100. 2.50 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.09 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0466 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2850,8 +2850,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.93E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.93E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2895,12 +2895,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.009 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.026 0.015 +[31] 0.019 0.026 0.015 [03] Reversals @@ -2945,62 +2945,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.079 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.078 [37] C 100. 2.51 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 -0.0110 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3089,8 +3089,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -3150,12 +3150,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.004 +[31] 0.009 0.013 0.005 [03] Reversals @@ -3200,62 +3200,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.063 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.063 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0077 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3344,8 +3344,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.07E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.07E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3389,12 +3389,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.004 +[31] 0.007 0.010 0.004 [03] Reversals @@ -3439,62 +3439,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.076 +[31] 0.079 0.062 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.077 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0032 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3950,8 +3950,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.29E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.29E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3991,12 +3991,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.021 0.042 +[31] 0.032 0.022 0.043 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.056 0.038 0.082 +[31] 0.056 0.038 0.083 [03] Reversals @@ -4041,62 +4041,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.066 +[31] 0.068 0.054 0.066 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.068 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 100. 2.62 4.00 -0.17 -0.11 -0.20 0.03 -0.0594 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4185,8 +4185,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.12E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.12E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4227,15 +4227,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.006 +[31] 0.009 0.007 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.013 +[31] 0.019 0.014 0.013 [03] Reversals @@ -4280,62 +4280,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.071 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0517 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4424,8 +4424,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4466,15 +4466,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [03] Reversals @@ -4519,62 +4519,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4663,8 +4663,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4701,15 +4701,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -4754,62 +4754,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0043 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4919,8 +4919,8 @@ LS-scale= 6.870 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.30E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.30E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 S/ESD 1 1 -0.514 0.0E+00 0.171E-01 -30.07 SCALE [14] S/ESD 2 2 0.100 0.0E+00 0.36 E-01 2.7 C 1 OCC Composite @@ -5098,12 +5098,12 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.071 0.073 +[31] 0.062 0.071 0.073 [70] Maximum 0. 0.10 0.02 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.121 0.149 0.130 +[31] 0.121 0.149 0.130 [03] Reversals @@ -5148,62 +5148,62 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [37] C 1. 0.63 1.00 -0.14 -0.10 -0.30 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.046 [37] C 2. 0.63 1.00 -0.11 -0.20 -0.19 0.07 [73] 0.10 -0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.038 0.047 +[31] 0.047 0.039 0.047 [37] C 3. 0.63 1.00 -0.18 -0.19 -0.10 0.07 [73] 0.10 0.00 0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.046 +[31] 0.048 0.038 0.046 [37] C 4. 0.63 1.00 -0.25 -0.05 -0.16 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.046 +[31] 0.047 0.038 0.047 [37] C 5. 0.63 1.00 -0.22 -0.01 -0.28 0.07 [73] 0.10 -0.01 0.00 -0.01 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.048 +[31] 0.048 0.038 0.048 [37] C 11. 0.44 1.00 -0.11 -0.08 -0.46 0.09 [73] 0.06 -0.00 -0.01 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.070 0.088 +[31] 0.088 0.071 0.088 [37] C 12. 0.44 1.00 -0.02 -0.32 -0.16 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.088 0.070 0.086 +[31] 0.088 0.071 0.086 [37] C 13. 0.44 1.00 -0.19 -0.28 0.03 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.071 0.087 +[31] 0.088 0.071 0.087 [37] C 14. 0.44 1.00 -0.33 -0.01 -0.07 0.09 [73] 0.06 -0.00 -0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.070 0.089 +[31] 0.089 0.071 0.089 [37] C 15. 0.44 1.00 -0.28 0.12 -0.38 0.09 [73] 0.06 -0.00 0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.071 0.087 +[31] 0.089 0.071 0.087 [37] C 100. 1.81 4.00 -0.18 -0.12 -0.21 0.02 -0.5012 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [37] C 200. 2.79 4.00 -0.18 -0.12 -0.21 0.03 -0.3480 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.13 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5292,8 +5292,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.43E-04 +[80a] Block No 1. Single precision relative error: 1E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1E-04 [14] S/ESD 2 2 -0.112 -0.1E+01 0.34 E-01 -3.3 C 1 OCC Composite @@ -5448,12 +5448,12 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.027 0.039 +[31] 0.053 0.028 0.040 [70] Maximum 0. 0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.050 0.082 +[31] 0.079 0.051 0.083 [03] Reversals @@ -5498,62 +5498,62 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 0.52 1.00 -0.14 -0.10 -0.30 0.06 [73] -0.11 0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.52 1.00 -0.12 -0.20 -0.19 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 3. 0.52 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 4. 0.52 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.52 1.00 -0.22 -0.01 -0.28 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.11 -0.08 -0.46 0.10 [73] -0.01 0.00 0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.065 +[31] 0.066 0.053 0.066 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.17 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.064 +[31] 0.065 0.052 0.064 [37] C 13. 0.42 1.00 -0.20 -0.28 0.02 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.053 0.065 +[31] 0.066 0.053 0.065 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.066 +[31] 0.067 0.053 0.066 [37] C 15. 0.42 1.00 -0.27 0.11 -0.38 0.10 [73] -0.01 0.00 -0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.065 +[31] 0.066 0.052 0.065 [37] C 100. 2.37 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.56 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.20 0.05 [22] 0.06 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5642,8 +5642,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.90E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 7.90E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 [14] S/ESD 2 2 -0.070 0.6E+00 0.37 E-01 -1.9 C 1 OCC Composite @@ -5721,15 +5721,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.021 +[31] 0.019 0.017 0.021 [70] Maximum 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.030 0.044 +[31] 0.033 0.030 0.045 [03] Reversals @@ -5774,62 +5774,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.45 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.45 1.00 -0.12 -0.20 -0.20 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.035 0.044 +[31] 0.046 0.035 0.045 [37] C 3. 0.45 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.045 [37] C 4. 0.45 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.07 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.45 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.41 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.073 0.059 0.072 [37] C 12. 0.41 1.00 -0.02 -0.33 -0.16 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.072 0.058 0.071 [37] C 13. 0.41 1.00 -0.20 -0.28 0.03 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.071 +[31] 0.072 0.059 0.072 [37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.072 +[31] 0.074 0.058 0.073 [37] C 15. 0.41 1.00 -0.27 0.12 -0.38 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.057 0.071 +[31] 0.073 0.058 0.072 [37] C 100. 2.73 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.35 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.91 4.00 -0.17 -0.11 -0.20 0.04 [22] 0.04 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5918,8 +5918,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.32E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.32E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -5960,15 +5960,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.010 +[31] 0.007 0.005 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.010 0.028 +[31] 0.019 0.010 0.028 [03] Reversals @@ -6013,62 +6013,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.074 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.074 0.059 0.072 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.059 0.073 [37] C 100. 2.75 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0109 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6158,8 +6158,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.31E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.31E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6196,15 +6196,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.003 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.014 +[31] 0.007 0.004 0.014 [03] Reversals @@ -6249,62 +6249,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0039 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6393,8 +6393,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.30E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6431,15 +6431,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.008 +[31] 0.005 0.001 0.008 [03] Reversals @@ -6484,62 +6484,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.046 +[31] 0.047 0.037 0.046 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.072 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6995,8 +6995,8 @@ LS-scale= 6.354 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.01E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.01E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 -0.224 0.0E+00 0.151E+00 -1.49 SCALE [14] S/ESD 29 29 0.010 0.0E+00 0.75 E-02 1.4 C 13 Z @@ -7038,12 +7038,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.025 0.048 +[31] 0.038 0.025 0.048 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.064 0.047 0.093 +[31] 0.064 0.048 0.094 [03] Reversals @@ -7088,62 +7088,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.45 0.10 [73] -0.01 0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.065 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.064 +[31] 0.066 0.053 0.064 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.066 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.066 +[31] 0.068 0.053 0.066 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.052 0.066 +[31] 0.068 0.053 0.066 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0165 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7232,8 +7232,8 @@ LS-scale= 6.337 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.84E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.84E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7310,15 +7310,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.008 +[31] 0.010 0.006 0.008 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.016 [03] Reversals @@ -7363,62 +7363,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0659 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7507,8 +7507,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.76E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.76E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -7552,12 +7552,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.005 0.008 [03] Reversals @@ -7602,62 +7602,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7746,8 +7746,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.73E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.73E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7804,15 +7804,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [03] Reversals @@ -7857,62 +7857,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.59 4.00 -0.17 -0.11 -0.20 0.03 -0.0057 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7922,7 +7922,7 @@ All cycle Rw 0.0 19. 0.10E+03 [24] F 5. 0.073 0.273 0.509 0.285 0.216 1.904 Might be split [24] F 6. 0.074 0.281 0.754 0.370 0.251 2.854 Might be split #CYCLENDS -#USE SHAPERING3.IN +#USE SHAPERING1.IN # # PUNCHED ON AT # @@ -7942,9 +7942,6 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. 3 Symmetry restraints written to LIST 17 #LIST 17 #REFINE 1 - Atom C 100 has U-iso too small, -0.0018 - 1 temperature factors less than the lowest allowed value of 0.00000 - The minimum value was -0.00183 Initialising Special positions @@ -7956,30 +7953,30 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. h k l Fo Fc -[61] 1. 1. 0. 60. 76. -[61] 4. 1. 0. 19. 14. -[61] -11. 2. 0. 1. 3. -[61] 10. 2. 0. 4. 5. -[61] 10. 3. 0. 2. 3. -[61] -5. 4. 0. 18. 14. -[61] -6. 6. 0. 8. 4. -[61] 0. 6. 0. 16. 10. +[61] 1. 1. 0. 65. 80. +[61] 4. 1. 0. 20. 14. +[61] 6. 1. 0. 17. 13. +[61] -11. 2. 0. 1. 2. +[61] 2. 2. 0. 34. 23. +[61] 3. 2. 0. 30. 20. +[61] 8. 2. 0. 10. 8. +[61] -3. 3. 0. 16. 10. +[61] -2. 3. 0. 36. 27. +[61] -1. 3. 0. 36. 27. +[61] 3. 3. 0. 11. 6. +[61] 6. 3. 0. 18. 12. +[61] -6. 4. 0. 18. 13. +[61] -5. 4. 0. 20. 12. +[61] 0. 4. 0. 23. 18. +[61] 6. 4. 0. 7. 5. +[61] -7. 5. 0. 11. 8. +[61] 6. 5. 0. 13. 10. +[61] -6. 6. 0. 8. 5. +[61] -1. 6. 0. 18. 11. [61] 5. 6. 0. 9. 7. -[61] 8. 6. 0. 5. 7. -[61] 0. 7. 0. 19. 14. -[61] 1. 7. 0. 12. 8. -[61] 2. 7. 0. 9. 11. -[61] 7. 7. 0. 4. 5. -[61] 4. 8. 0. 7. 6. -[61] 6. 8. 0. 5. 6. -[61] 2. 10. 0. 2. 3. -[61] 3. 10. 0. 2. 4. -[61] 2. 11. 0. 4. 5. -[61] -4. -10. 1. 5. 7. -[61] -3. -10. 1. 3. 5. -[61] -4. -9. 1. 5. 7. -[61] -8. -7. 1. 3. 5. -[61] 0. -7. 1. 4. 2. +[61] -4. 7. 0. 15. 11. +[61] -5. 9. 0. 7. 5. +[61] 2. 10. 0. 2. 2. And so on ------------ @@ -7988,22 +7985,22 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 10. 23. ************ +[62] 13. 27. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 34000 32000 3400 On scale of /FC/ +[33] 36000 32000 4900 On scale of /FC/ -[32] 211780 202020 21560 0.33 E+06 On scale of /FO/ +[32] 211780 186550 28630 0.45 E+06 On scale of /FO/ - New scale factor (G) is 6.196, 2803 reflections used in refinement + New scale factor (G) is 5.759, 2803 reflections used in refinement Structure factor least squares calculation 6 ends 2 -[29] SumFo/SumFc= 6.49 SumFoFc/SumFc^2= 6.32 SumwFoFc/SumwFc^2= 6.40 -LS-scale= 6.196 Wilson Scale= 0.000 -[27] - = 0.5 100*(-)/ = 4. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 5.759 Wilson Scale= 0.000 +[27] - = 1.5 100*(-)/ = 11. #DORESTRAIN #LIST 26 #DORESTRAIN @@ -8025,10 +8022,36 @@ LS-scale= 6.196 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 6.35E-05 -[13] LARGE 1 1 1.6 0.0E+00 0.1 E+00 8.6 SCALE -[14] S/ESD 2 2 0.303 0.0E+00 0.24 E-01 12.4 C 1 OCC +[80a] Block No 1. Single precision relative error: 1E-03 +Insufficient precision - trying double +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 3E-12 +[13] LARGE 1 1 7.1 0.0E+00 0.2 E+00 32.3 SCALE +[14] S/ESD 2 2 0.426 0.0E+00 0.62 E-01 6.8 C 1 OCC + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + +[14] S/ESD 3 3 -0.011 0.0E+00 0.69 E-02 -1.6 C 1 X +[14] S/ESD 4 4 0.011 0.0E+00 0.65 E-02 1.6 C 1 Y +[14] S/ESD 5 5 0.020 0.0E+00 0.85 E-02 2.3 C 1 Z +[14] S/ESD 6 6 0.047 0.0E+00 0.98 E-02 4.8 C 1 U[ISO] Composite Composite @@ -8045,13 +8068,19 @@ Block No 1. Single precision relative error: 6.35E-05 Composite +[14] S/ESD 8 8 0.017 0.0E+00 0.63 E-02 2.8 C 2 Y +[14] S/ESD 9 9 0.016 0.0E+00 0.86 E-02 1.9 C 2 Z +[14] S/ESD 10 10 -0.018 0.0E+00 0.69 E-02 -2.6 C 3 X +[14a] LARGE 11 11 -0.029 0.0E+00 0.62 E-02 -4.7 C 3 Y +[14] S/ESD 12 12 0.011 0.0E+00 0.89 E-02 1.3 C 3 Z +[14] S/ESD 13 13 -0.013 0.0E+00 0.67 E-02 -1.9 C 4 X +[14] S/ESD 17 17 -0.013 0.0E+00 0.64 E-02 -2.0 C 5 Y +[14] S/ESD 18 18 0.015 0.0E+00 0.85 E-02 1.8 C 5 Z +[14] S/ESD 19 19 0.222 0.0E+00 0.47 E-01 4.6 C 11 OCC Composite Composite -[14] S/ESD 4 4 -0.013 0.0E+00 0.35 E-02 -3.7 C 1 Y -[14] S/ESD 5 5 -0.016 0.0E+00 0.47 E-02 -3.5 C 1 Z -[14] S/ESD 6 6 0.038 0.0E+00 0.39 E-02 9.6 C 1 U[ISO] Composite Composite @@ -8068,9 +8097,8 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 11 11 0.010 0.0E+00 0.35 E-02 2.9 C 3 Y -[14] S/ESD 15 15 0.011 0.0E+00 0.47 E-02 2.4 C 4 Z -[14] S/ESD 22 22 -0.010 0.0E+00 0.56 E-02 -1.8 C 11 Z +[14a] LARGE 20 20 0.040 0.0E+00 0.18 E-01 2.1 C 11 X +[14] S/ESD 23 23 -0.017 0.0E+00 0.22 E-02 -7.7 C 11 U[ISO] Composite Composite @@ -8143,22 +8171,23 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 24 24 -0.013 0.0E+00 0.44 E-02 -3.1 C 12 X -[14] S/ESD 28 28 -0.012 0.0E+00 0.42 E-02 -2.8 C 13 Y -[14] S/ESD 33 33 -0.014 0.0E+00 0.45 E-02 -3.2 C 15 X -[14] S/ESD 34 34 -0.010 0.0E+00 0.42 E-02 -2.4 C 15 Y -[14] S/ESD 35 35 -0.010 0.0E+00 0.56 E-02 -1.9 C 15 Z +[14] S/ESD 24 24 0.020 0.0E+00 0.18 E-01 1.1 C 12 X +[14] S/ESD 25 25 0.019 0.0E+00 0.17 E-01 1.0 C 12 Y +[14a] LARGE 28 28 0.031 0.0E+00 0.17 E-01 1.7 C 13 Y +[14a] LARGE 30 30 -0.024 0.0E+00 0.19 E-01 -1.2 C 14 X +[14a] LARGE 32 32 -0.039 0.0E+00 0.23 E-01 -1.6 C 14 Z +[14a] LARGE 33 33 0.037 0.0E+00 0.18 E-01 1.9 C 15 X for 35 parameters -[64] The rms (shift/su) = 3. +[64] The rms (shift/su) = 6. [64] The mean abs(shift/su) = 2. - The largest (shift/esd) = 12.43, for Parameter 2, C1OCC + The largest (shift/esd) = 32.33, for Parameter 1, SCALE Min Actual Max -All cycle R-factor 0.0 10. 0.10E+03 -All cycle Rw 0.0 24. 0.10E+03 +All cycle R-factor 0.0 14. 0.10E+03 +All cycle Rw 0.0 28. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.33E+06 0.10E+16 +All cycle Min function 0.0 0.45E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -8169,8 +8198,8 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.33E+06 0.0E+00 0.33E+06 -[45] Hamilton weighted R-value 23. 0.00 23. +[30] Minimisation function 0.45E+06 0.0E+00 0.45E+06 +[45] Hamilton weighted R-value 27. 0.00 27. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8183,16 +8212,16 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 1.62 0.15 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 -0.01 -0.01 +[38] Mean 7.10 0.32 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.032 0.030 -[71] R.M.S. 1. 0.21 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.087 0.072 0.079 +[71] R.M.S. 7. 0.34 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.242 0.164 0.152 -[70] Maximum 1. 0.30 0.03 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.161 0.123 0.147 +[70] Maximum 7. 0.42 0.04 0.04 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.443 0.294 0.344 [03] Reversals @@ -8223,9 +8252,9 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 -[41] 0.13 0.00 0.00 -[41] 0.09 0.00 0.00 +[41] 6.34 0.05 0.05 +[41] 0.58 0.00 0.00 +[41] 0.11 0.00 0.00 @@ -8234,66 +8263,66 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.91 1.00 -0.14 -0.10 -0.31 0.09 -[73] 0.30 -0.00 -0.01 -0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 2. 0.91 1.00 -0.11 -0.21 -0.18 0.09 -[73] 0.30 -0.00 0.00 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 3. 0.91 1.00 -0.17 -0.19 -0.09 0.09 -[73] 0.30 0.00 0.01 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.041 +[37] C 1. 0.95 1.00 -0.13 -0.10 -0.29 0.11 +[73] 0.42 -0.01 0.01 0.02 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.061 0.075 -[37] C 4. 0.91 1.00 -0.25 -0.06 -0.16 0.09 -[73] 0.30 0.00 0.00 0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 2. 0.95 1.00 -0.11 -0.19 -0.18 0.11 +[73] 0.42 -0.00 0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.076 -[37] C 5. 0.91 1.00 -0.22 -0.01 -0.28 0.09 -[73] 0.30 0.00 0.00 0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 3. 0.95 1.00 -0.19 -0.20 -0.09 0.11 +[73] 0.42 -0.01 -0.02 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.078 -[37] C 11. 0.56 1.00 -0.10 -0.08 -0.44 0.07 -[73] 0.01 -0.00 -0.00 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 4. 0.95 1.00 -0.26 -0.05 -0.17 0.11 +[73] 0.42 -0.01 0.00 0.00 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.075 0.061 0.075 -[37] C 12. 0.56 1.00 -0.01 -0.33 -0.14 0.07 -[73] 0.01 -0.01 0.00 -0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.049 0.039 0.048 +[37] C 5. 0.95 1.00 -0.21 -0.01 -0.28 0.11 +[73] 0.42 0.00 -0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.076 0.061 0.074 -[37] C 13. 0.56 1.00 -0.18 -0.26 0.05 0.07 -[73] 0.01 -0.00 -0.01 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 +[73] 0.22 0.04 0.00 -0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.206 0.169 0.205 -[37] C 14. 0.56 1.00 -0.33 -0.01 -0.06 0.07 -[73] 0.01 -0.00 0.00 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 +[73] 0.22 0.02 0.01 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.203 0.167 0.195 -[37] C 15. 0.56 1.00 -0.27 0.13 -0.37 0.07 -[73] 0.01 -0.01 -0.01 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 13. 0.54 1.00 -0.18 -0.25 0.04 0.11 +[73] 0.22 -0.00 0.03 0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.209 0.168 0.200 -[37] C 100. 0.44 4.00 -0.20 -0.14 -0.22 0.00 - -1.5155 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 14. 0.54 1.00 -0.34 0.00 -0.10 0.11 +[73] 0.22 -0.02 -0.01 -0.03 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.212 0.167 0.207 -[37] C 200. 2.17 4.00 -0.20 -0.14 -0.23 0.02 - -0.0767 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.09 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 -[84] Mean C-C su = 0.03 +[37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 +[73] 0.22 0.03 0.00 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.207 0.163 0.203 + +[37] C 100. 0.22 4.00 -0.16 -0.09 -0.18 0.04 + -2.1337 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.31 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 + +[37] C 200. 2.28 4.00 -0.16 -0.10 -0.19 0.06 + -1.1126 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.23 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 +[84] Mean C-C su = 0.11 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8316,30 +8345,30 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 h k l Fo Fc -[61] 2. 10. 0. 2. 2. -[61] 3. 10. 0. 2. 4. -[61] -8. -7. 1. 3. 4. -[61] 0. -7. 1. 4. 3. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. +[61] 3. 10. 0. 2. 3. +[61] -3. -6. 1. 4. 6. [61] 10. -4. 1. 3. 5. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. -[61] 10. -1. 1. 2. 4. -[61] 4. 0. 1. 23. 16. +[61] 10. -1. 1. 2. 5. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. -[61] 2. 1. 1. 14. 19. -[61] 4. 2. 1. 17. 11. -[61] 2. 10. 1. 3. 4. -[61] -5. -5. 2. 4. 6. +[61] -5. -5. 2. 4. 7. [61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 3. -[61] 9. -3. 2. 3. 6. +[61] 9. -3. 2. 3. 5. [61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. +[61] 4. -1. 2. 7. 3. +[61] 9. -1. 2. 2. 4. +[61] 9. 0. 2. 2. 5. +[61] 5. 2. 2. 3. 6. +[61] 4. 4. 2. 6. 3. +[61] 3. -6. 3. 3. 1. +[61] 8. -4. 3. 3. 5. +[61] -2. -3. 3. 8. 12. +[61] 8. -3. 3. 3. 6. +[61] 8. -2. 3. 1. 3. +[61] 8. -1. 3. 1. 3. +[61] 8. 0. 3. 2. 3. And so on ------------ @@ -8348,7 +8377,7 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 8. 20. ************ +[62] 8. 21. ************ *** *** @@ -8356,14 +8385,14 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 [33] 33000 32000 2700 On scale of /FC/ -[32] 211780 205420 17410 0.25 E+06 On scale of /FO/ +[32] 211780 205850 17550 0.26 E+06 On scale of /FO/ - New scale factor (G) is 6.326, 2803 reflections used in refinement + New scale factor (G) is 6.346, 2803 reflections used in refinement Structure factor least squares calculation 7 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.47 -LS-scale= 6.326 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 6.346 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8381,9 +8410,9 @@ LS-scale= 6.326 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.88E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 5.88E-05 -[14] S/ESD 2 2 0.030 0.1E+00 0.24 E-01 1.2 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.229 -0.5E+00 0.45 E-01 -5.0 C 1 OCC Composite Composite @@ -8404,7 +8433,8 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 6 6 -0.015 -0.4E+00 0.36 E-02 -4.2 C 1 U[ISO] +[14] S/ESD 5 5 -0.015 -0.8E+00 0.45 E-02 -3.3 C 1 Z +[14] S/ESD 6 6 -0.039 -0.8E+00 0.46 E-02 -8.6 C 1 U[ISO] Composite Composite @@ -8421,7 +8451,13 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 19 19 -0.042 -0.3E+01 0.19 E-01 -2.2 C 11 OCC +[14] S/ESD 8 8 -0.014 -0.8E+00 0.34 E-02 -4.1 C 2 Y +[14] S/ESD 9 9 -0.014 -0.8E+00 0.47 E-02 -2.9 C 2 Z +[14] S/ESD 10 10 0.013 -0.7E+00 0.39 E-02 3.4 C 3 X +[14] S/ESD 11 11 0.014 -0.5E+00 0.36 E-02 3.9 C 3 Y +[14] S/ESD 16 16 -0.010 -0.1E+01 0.36 E-02 -2.8 C 5 X +[14] S/ESD 18 18 -0.013 -0.8E+00 0.46 E-02 -2.8 C 5 Z +[14] S/ESD 19 19 -0.142 -0.6E+00 0.29 E-01 -4.8 C 11 OCC Composite Composite @@ -8442,8 +8478,7 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 22 22 -0.010 0.1E+01 0.50 E-02 -2.1 C 11 Z -[14] S/ESD 23 23 0.013 0.2E+01 0.14 E-02 9.1 C 11 U[ISO] +[14a] LARGE 22 22 0.032 -0.2E+01 0.76 E-02 4.2 C 11 Z Composite Composite @@ -8516,19 +8551,23 @@ Block No 1. Single precision relative error: 5.88E-05 Composite +[14] S/ESD 26 26 0.014 0.5E+01 0.77 E-02 1.9 C 12 Z +[14] S/ESD 30 30 0.010 -0.4E+00 0.63 E-02 1.5 C 14 X +[14] S/ESD 32 32 0.012 -0.3E+00 0.78 E-02 1.6 C 14 Z +[14] S/ESD 34 34 0.010 0.4E+01 0.58 E-02 1.8 C 15 Y for 35 parameters [64] The rms (shift/su) = 2. [64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 9.1 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 8.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 8.2 0.10E+03 +All cycle R-factor 0.0 8.3 0.10E+03 All cycle Rw 0.0 21. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.25E+06 0.10E+16 -Inter cycle R-factor -5.0 2.0 0.10E+03 -Inter cycle Rw -5.0 3.1 0.10E+03 +All cycle Min function 0.0 0.26E+06 0.10E+16 +Inter cycle R-factor -5.0 5.2 0.10E+03 +Inter cycle Rw -5.0 6.8 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8541,8 +8580,8 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.25E+06 0.0E+00 0.25E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.26E+06 0.0E+00 0.26E+06 +[45] Hamilton weighted R-value 21. 0.00 21. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8555,16 +8594,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.02 -0.02 +[38] Mean -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.018 0.015 0.015 -[71] R.M.S. 0. 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.038 0.049 +[71] R.M.S. 0. 0.19 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.077 0.075 0.125 -[70] Maximum 0. 0.04 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.097 0.090 0.095 +[70] Maximum 0. 0.22 0.03 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.150 0.135 0.282 [03] Reversals @@ -8595,7 +8634,7 @@ Inter cycle Rw -5.0 3.1 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 +[41] 6.34 0.05 0.05 [41] -0.00 0.00 0.00 [41] 0.08 0.00 0.00 @@ -8606,66 +8645,66 @@ Inter cycle Rw -5.0 3.1 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.94 1.00 -0.13 -0.10 -0.30 0.07 -[73] 0.03 0.00 -0.00 0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.034 +[37] C 1. 0.72 1.00 -0.13 -0.10 -0.31 0.07 +[73] -0.22 -0.00 -0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.042 0.033 0.040 -[37] C 2. 0.94 1.00 -0.11 -0.21 -0.19 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.029 0.035 +[37] C 2. 0.72 1.00 -0.11 -0.21 -0.19 0.07 +[73] -0.22 -0.00 -0.01 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.032 0.041 -[37] C 3. 0.94 1.00 -0.18 -0.20 -0.09 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.037 0.029 0.035 +[37] C 3. 0.72 1.00 -0.18 -0.19 -0.10 0.07 +[73] -0.22 0.01 0.01 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.034 0.041 -[37] C 4. 0.94 1.00 -0.25 -0.06 -0.16 0.07 -[73] 0.03 -0.00 0.00 0.00 -0.01 +[37] C 4. 0.72 1.00 -0.25 -0.05 -0.17 0.07 +[73] -0.22 0.00 -0.00 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.033 0.041 + +[37] C 5. 0.72 1.00 -0.22 0.00 -0.29 0.07 +[73] -0.22 -0.01 0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.034 0.040 + +[37] C 11. 0.40 1.00 -0.07 -0.06 -0.43 0.10 +[73] -0.14 0.00 0.00 0.03 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.035 +[31] 0.068 0.054 0.067 -[37] C 5. 0.94 1.00 -0.22 -0.01 -0.29 0.07 -[73] 0.03 -0.00 0.00 -0.00 -0.01 +[37] C 12. 0.40 1.00 0.00 -0.31 -0.14 0.10 +[73] -0.14 0.00 -0.00 0.01 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.036 0.028 0.035 +[31] 0.069 0.056 0.067 -[37] C 11. 0.52 1.00 -0.11 -0.09 -0.45 0.08 -[73] -0.04 -0.00 -0.00 -0.01 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 13. 0.40 1.00 -0.18 -0.25 0.04 0.10 +[73] -0.14 -0.00 -0.00 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.072 0.057 0.069 -[37] C 12. 0.52 1.00 -0.01 -0.33 -0.15 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[37] C 14. 0.40 1.00 -0.33 0.00 -0.08 0.10 +[73] -0.14 0.01 0.00 0.01 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.054 0.068 -[37] C 13. 0.52 1.00 -0.18 -0.27 0.05 0.08 -[73] -0.04 -0.00 -0.00 0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 15. 0.40 1.00 -0.24 0.15 -0.36 0.10 +[73] -0.14 -0.00 0.01 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.055 0.068 -[37] C 14. 0.52 1.00 -0.33 -0.01 -0.06 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[37] C 100. 1.36 4.00 -0.16 -0.10 -0.19 0.04 +[22] 1.14 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.22 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 -[37] C 15. 0.52 1.00 -0.27 0.12 -0.38 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 - -[37] C 100. 0.29 4.00 -0.18 -0.12 -0.21 0.02 - -0.1516 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.12 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 - -[37] C 200. 2.38 4.00 -0.19 -0.12 -0.22 0.03 -[22] 0.21 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.09 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 -[84] Mean C-C su = 0.03 +[37] C 200. 2.99 4.00 -0.17 -0.10 -0.20 0.05 +[22] 0.71 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.14 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8688,18 +8727,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 h k l Fo Fc +[61] 1. 1. 0. 59. 77. [61] -11. 2. 0. 1. 3. -[61] -6. 6. 0. 8. 6. -[61] 0. 6. 0. 16. 12. -[61] 1. 7. 0. 11. 8. -[61] 3. 10. 0. 2. 3. +[61] -6. 6. 0. 8. 5. [61] -2. -11. 1. 5. 6. [61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. [61] -7. -5. 1. 8. 6. -[61] -6. -5. 1. 7. 5. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. @@ -8708,10 +8741,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [61] 10. -2. 1. 2. 4. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. -[61] 4. 0. 1. 23. 16. +[61] 4. 0. 1. 23. 17. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. +[61] 0. 5. 1. 7. 5. +[61] -8. -7. 2. 2. 3. +[61] -5. -5. 2. 4. 6. +[61] -8. -4. 2. 10. 7. +[61] 9. -4. 2. 2. 4. +[61] -2. -3. 2. 15. 20. +[61] 5. -3. 2. 5. 3. +[61] 9. -3. 2. 3. 5. And so on ------------ @@ -8720,22 +8759,22 @@ Inter cycle Rw -5.0 3.1 0.10E+03 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 7. 20. ************ +[62] 7. 19. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2600 On scale of /FC/ +[33] 33000 32000 2500 On scale of /FC/ -[32] 211780 205320 16930 0.23 E+06 On scale of /FO/ +[32] 211780 205760 16140 0.22 E+06 On scale of /FO/ - New scale factor (G) is 6.324, 2803 reflections used in refinement + New scale factor (G) is 6.344, 2803 reflections used in refinement Structure factor least squares calculation 8 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.48 -LS-scale= 6.324 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.344 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8753,30 +8792,9 @@ LS-scale= 6.324 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.59E-05 -[14] S/ESD 2 2 -0.276 -0.9E+01 0.31 E-01 -8.6 C 1 OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - -[14] S/ESD 19 19 -0.068 0.2E+01 0.23 E-01 -2.9 C 11 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.151 0.7E+00 0.39 E-01 -3.8 C 1 OCC Composite Composite @@ -8797,7 +8815,7 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 23 23 0.010 0.8E+00 0.17 E-02 6.1 C 11 U[ISO] +[14] S/ESD 23 23 -0.010 0.1E+01 0.15 E-02 -6.4 C 11 U[ISO] Composite Composite @@ -8870,23 +8888,20 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 27 27 -0.011 0.2E+02 0.49 E-02 -2.2 C 13 X -[14] S/ESD 28 28 -0.011 0.2E+01 0.45 E-02 -2.4 C 13 Y -[14] S/ESD 29 29 -0.010 -0.5E+01 0.60 E-02 -1.7 C 13 Z -[14] S/ESD 32 32 -0.010 0.3E+01 0.61 E-02 -1.7 C 14 Z +[14] S/ESD 27 27 0.013 -0.2E+02 0.74 E-02 1.7 C 13 X for 35 parameters -[64] The rms (shift/su) = 2. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 8.6 , for Parameter 2, C1OCC +[64] The rms (shift/su) = 1. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 6.4 , for Parameter 23, C11U[11] Min Actual Max -All cycle R-factor 0.0 8.0 0.10E+03 +All cycle R-factor 0.0 7.6 0.10E+03 All cycle Rw 0.0 20. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.24E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.2 0.1 E+03 -[26] Inter cycle Rw -5.0 0.6 0.1 E+03 +All cycle Min function 0.0 0.23E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.6 0.1 E+03 +Inter cycle Rw -5.0 1.5 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8899,8 +8914,8 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.23E+06 0.0E+00 0.23E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.22E+06 0.0E+00 0.22E+06 +[45] Hamilton weighted R-value 19. 0.00 19. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8913,16 +8928,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.15 -0.17 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.01 -0.01 +[38] Mean -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.018 -[71] R.M.S. 0. 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.061 0.058 +[71] R.M.S. 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.069 0.041 0.045 -[70] Maximum 0. 0.27 0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.106 0.091 +[70] Maximum 0. 0.15 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.147 0.066 0.079 [03] Reversals @@ -8954,7 +8969,7 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.01 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -8964,66 +8979,66 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.66 1.00 -0.13 -0.10 -0.30 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 1. 0.57 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 2. 0.66 1.00 -0.11 -0.20 -0.18 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 2. 0.57 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.15 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.036 0.028 0.035 -[37] C 3. 0.66 1.00 -0.17 -0.19 -0.09 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 3. 0.57 1.00 -0.18 -0.19 -0.10 0.06 +[73] -0.15 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.035 -[37] C 4. 0.66 1.00 -0.25 -0.06 -0.16 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 4. 0.57 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.034 0.028 0.034 -[37] C 5. 0.66 1.00 -0.22 -0.01 -0.28 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 5. 0.57 1.00 -0.22 0.00 -0.29 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 11. 0.45 1.00 -0.11 -0.09 -0.46 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 11. 0.38 1.00 -0.07 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.052 0.042 0.051 +[31] 0.079 0.064 0.078 -[37] C 12. 0.45 1.00 -0.02 -0.33 -0.16 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.079 0.064 0.077 -[37] C 13. 0.45 1.00 -0.19 -0.28 0.04 0.09 -[73] -0.06 -0.01 -0.01 -0.01 0.01 +[37] C 13. 0.38 1.00 -0.16 -0.24 0.05 0.09 +[73] -0.01 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.083 0.065 0.080 -[37] C 14. 0.45 1.00 -0.34 -0.02 -0.07 0.09 -[73] -0.06 -0.00 -0.00 -0.01 0.01 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.082 0.064 0.080 -[37] C 15. 0.45 1.00 -0.28 0.11 -0.38 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 +[73] -0.01 -0.00 0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.081 0.064 0.080 -[37] C 100. 1.67 4.00 -0.17 -0.11 -0.20 0.03 -[22] 1.38 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.15 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[37] C 100. 2.12 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.75 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.19 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 -[37] C 200. 2.73 4.00 -0.18 -0.11 -0.21 0.04 -[22] 0.34 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.11 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 -[84] Mean C-C su = 0.03 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.09 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.13 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -9046,30 +9061,30 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 h k l Fo Fc +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. +[61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] 6. 5. 1. 5. 4. +[61] -2. 1. 1. 62. 76. +[61] 1. 6. 1. 13. 10. [61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. -[61] 9. -3. 2. 3. 5. -[61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. -[61] 9. -1. 2. 2. 3. And so on ------------ @@ -9084,16 +9099,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2500 On scale of /FC/ +[33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205390 15850 0.21 E+06 On scale of /FO/ +[32] 211780 205530 15810 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.336, 2803 reflections used in refinement + New scale factor (G) is 6.338, 2803 reflections used in refinement Structure factor least squares calculation 9 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.336 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.338 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9111,9 +9126,9 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.40E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.40E-04 -[14] S/ESD 2 2 -0.192 0.7E+00 0.35 E-01 -5.3 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.063 0.4E+00 0.35 E-01 -1.8 C 1 OCC Composite Composite @@ -9134,7 +9149,6 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 6 6 -0.015 0.8E+01 0.37 E-02 -4.1 C 1 U[ISO] Composite Composite @@ -9151,114 +9165,21 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 19 19 -0.043 0.6E+00 0.24 E-01 -1.7 C 11 OCC - Composite - Composite + for 35 parameters +[64] The rms (shift/su) = 0. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 1.8 , for Parameter 2, C1OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - - for 35 parameters -[64] The rms (shift/su) = 1. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 5.3 , for Parameter 2, C1OCC - - Min Actual Max -All cycle R-factor 0.0 7.5 0.10E+03 -All cycle Rw 0.0 19. 0.10E+03 -[06] All cycle shift/esd -All cycle Min function 0.0 0.22E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.5 0.1 E+03 -[26] Inter cycle Rw -5.0 0.7 0.1 E+03 -[69] Inter cycle shift/esd -[07] Inter cycle Min function 0.0 + Min Actual Max +All cycle R-factor 0.0 7.5 0.10E+03 +All cycle Rw 0.0 19. 0.10E+03 +[06] All cycle shift/esd +All cycle Min function 0.0 0.22E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.1 0.1 E+03 +[26] Inter cycle Rw -5.0 0.3 0.1 E+03 +[69] Inter cycle shift/esd +[07] Inter cycle Min function 0.0 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9283,16 +9204,16 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.04 -0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 0.00 0.00 +[38] Mean -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] -0.000 0.000 0.001 -[71] R.M.S. 0. 0.13 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.032 0.046 +[71] R.M.S. 0. 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.030 0.023 -[70] Maximum 0. 0.19 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.052 0.071 +[70] Maximum 0. 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.084 0.044 0.037 [03] Reversals @@ -9324,7 +9245,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9334,65 +9255,65 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.47 1.00 -0.14 -0.10 -0.30 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.037 +[31] 0.041 0.033 0.040 -[37] C 2. 0.47 1.00 -0.12 -0.21 -0.19 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 3. 0.47 1.00 -0.18 -0.19 -0.09 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 4. 0.51 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.052 0.064 +[31] 0.077 0.061 0.075 -[37] C 12. 0.40 1.00 -0.02 -0.33 -0.15 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.051 0.062 +[31] 0.075 0.061 0.074 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.04 -0.00 -0.00 -0.00 0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.063 +[31] 0.078 0.062 0.075 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.04 -0.00 0.00 -0.00 0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.064 +[31] 0.077 0.061 0.076 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.36 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.051 0.063 +[31] 0.077 0.061 0.076 -[37] C 100. 2.63 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.96 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.17 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 100. 2.44 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.31 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.05 -[22] 0.21 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.12 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 200. 3.14 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.05 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9417,30 +9338,30 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. +[61] -11. -2. 1. 2. 1. [61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. And so on ------------ @@ -9457,13 +9378,13 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205450 15700 0.21 E+06 On scale of /FO/ +[32] 211780 205500 15780 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.339, 2803 reflections used in refinement + New scale factor (G) is 6.337, 2803 reflections used in refinement Structure factor least squares calculation 10 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.339 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.337 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9482,91 +9403,19 @@ LS-scale= 6.339 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.75E-04 - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 1.0 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 0.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 +All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9591,16 +9440,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[38] Mean -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[89] 0.00 0.00 0.00 -[71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.016 +[71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.012 0.009 0.009 -[70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.027 0.030 +[70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.017 [03] Reversals @@ -9631,8 +9480,8 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] 6.33 0.05 0.05 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9642,65 +9491,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.02 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.01 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.44 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.49 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.01 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.043 -[37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.02 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 -[73] -0.02 -0.00 -0.00 0.00 -0.00 +[37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.079 0.063 0.077 -[37] C 12. 0.40 1.00 -0.01 -0.33 -0.15 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.071 +[31] 0.078 0.063 0.076 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.080 0.063 0.077 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.059 0.073 +[31] 0.079 0.062 0.078 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.079 0.063 0.078 -[37] C 100. 2.77 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.14 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.08 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.04 -[22] 0.00 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 + -0.0420 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9724,30 +9573,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 5. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -2. -11. 2. 3. 3. And so on ------------ @@ -9764,13 +9613,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 11 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9789,21 +9638,93 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.70E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.70E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.2 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.1 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-02 0.1 E+03 -[25] Inter cycle Rw -5.0 0. E-01 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-01 0.1 E+03 +[25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -9830,16 +9751,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.005 0.005 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.011 +[31] 0.010 0.011 0.007 [03] Reversals @@ -9870,7 +9791,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9881,65 +9802,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.077 0.062 0.076 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 -0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.074 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.078 0.062 0.076 -[37] C 14. 0.41 1.00 -0.34 -0.02 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.078 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.078 0.061 0.076 -[37] C 100. 2.81 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.04 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.02 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 -[37] C 200. 2.94 4.00 -0.17 -0.11 -0.20 0.04 - -0.0154 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 + -0.0145 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9963,30 +9884,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10003,13 +9924,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 12 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10028,20 +9949,20 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.1 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 24, C12X Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-03 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-02 0.1 E+03 [25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -10069,16 +9990,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.006 0.004 0.003 [03] Reversals @@ -10109,7 +10030,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10120,65 +10041,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.077 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.078 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 -0.00 0.00 -0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0072 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10202,20 +10123,18 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. [61] -1. -1. 1. 62. 77. @@ -10225,7 +10144,9 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10242,13 +10163,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 13 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10267,16 +10188,16 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.66E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.0 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd Forced termination after this cycle: Actual value condition on: shift/esd @@ -10304,16 +10225,16 @@ All cycle Rw 0.0 19. 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.003 0.004 0.001 [03] Reversals @@ -10344,7 +10265,7 @@ All cycle Rw 0.0 19. 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10355,65 +10276,65 @@ All cycle Rw 0.0 19. 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.077 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.060 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.075 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10625,7 +10546,6 @@ All cycle Rw 0.0 19. 0.10E+03 CALCULATED APPLIED 0.000 0.000 - -0.001 -0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10643,6 +10563,7 @@ All cycle Rw 0.0 19. 0.10E+03 0.000 0.000 0.000 0.000 0.000 0.000 + 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10869,8 +10790,8 @@ LS-scale= 6.302 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.27E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.27E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.341 0.0E+00 0.151E+00 2.26 SCALE for 35 parameters @@ -10911,12 +10832,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.041 +[31] 0.034 0.026 0.041 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.056 0.077 +[31] 0.058 0.057 0.077 [03] Reversals @@ -10961,62 +10882,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.065 +[31] 0.067 0.054 0.065 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.068 0.055 0.067 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.067 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.053 0.067 +[31] 0.069 0.054 0.067 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0111 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11105,8 +11026,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.89E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.89E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11183,15 +11104,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.005 0.007 +[31] 0.010 0.005 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.010 0.013 +[31] 0.020 0.010 0.013 [03] Reversals @@ -11236,62 +11157,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0649 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11380,8 +11301,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.80E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.80E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -11422,15 +11343,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -11475,62 +11396,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11619,8 +11540,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.77E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11677,15 +11598,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -11730,62 +11651,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0055 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11895,8 +11816,8 @@ LS-scale= 5.752 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 5.86E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 6E-04 [13] LARGE 1 1 7.0 0.0E+00 0.2 E+00 32.0 SCALE [14] S/ESD 2 2 0.521 0.0E+00 0.51 E-01 10.2 C 1 OCC Composite @@ -12058,15 +11979,15 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [38] Mean 7.06 0.28 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.036 0.031 0.028 +[31] 0.036 0.031 0.029 [71] R.M.S. 7. 0.36 0.04 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.122 0.114 0.168 +[31] 0.122 0.115 0.169 [70] Maximum 7. 0.52 0.06 0.02 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.235 0.286 0.319 +[31] 0.236 0.286 0.320 [03] Reversals @@ -12111,62 +12032,62 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [37] C 1. 0.94 1.00 -0.13 -0.09 -0.29 0.11 [73] 0.52 -0.00 0.00 0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 2. 0.94 1.00 -0.10 -0.20 -0.18 0.11 [73] 0.52 0.02 0.00 0.00 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.078 0.060 0.075 +[31] 0.078 0.061 0.076 [37] C 3. 0.94 1.00 -0.18 -0.19 -0.09 0.11 [73] 0.52 0.00 -0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 4. 0.94 1.00 -0.25 -0.05 -0.16 0.11 [73] 0.52 0.00 0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.076 +[31] 0.076 0.062 0.076 [37] C 5. 0.94 1.00 -0.22 0.00 -0.28 0.11 [73] 0.52 -0.00 -0.00 -0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.062 0.075 [37] C 11. 0.56 1.00 -0.09 -0.06 -0.46 0.12 [73] 0.04 0.00 0.00 -0.03 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.137 0.109 0.132 +[31] 0.137 0.110 0.132 [37] C 12. 0.56 1.00 -0.01 -0.30 -0.15 0.12 [73] 0.04 -0.01 0.03 -0.01 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.108 0.128 +[31] 0.134 0.108 0.128 [37] C 13. 0.56 1.00 -0.19 -0.25 0.04 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.134 0.108 0.131 +[31] 0.135 0.108 0.131 [37] C 14. 0.56 1.00 -0.33 0.00 -0.08 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.136 0.106 0.132 +[31] 0.137 0.106 0.132 [37] C 15. 0.56 1.00 -0.25 0.13 -0.35 0.12 [73] 0.04 0.01 -0.00 0.02 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.105 0.130 +[31] 0.134 0.105 0.130 [37] C 100. 0.25 4.00 -0.15 -0.09 -0.18 0.05 -2.6050 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.25 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [37] C 200. 2.18 4.00 -0.15 -0.09 -0.19 0.06 -0.2304 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.23 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [84] Mean C-C su = 0.08 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12255,8 +12176,8 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.72E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.153 -0.3E+00 0.47 E-01 -3.2 C 1 OCC Composite @@ -12436,15 +12357,15 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [38] Mean -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.015 +[31] 0.020 0.016 0.016 [71] R.M.S. 0. 0.13 0.03 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.074 0.082 0.132 +[31] 0.075 0.083 0.132 [70] Maximum 0. 0.15 0.04 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.171 0.169 0.317 +[31] 0.171 0.169 0.317 [03] Reversals @@ -12489,62 +12410,62 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [37] C 1. 0.79 1.00 -0.13 -0.09 -0.31 0.06 [73] -0.15 -0.00 0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.040 +[31] 0.043 0.034 0.040 [37] C 2. 0.79 1.00 -0.11 -0.21 -0.19 0.06 [73] -0.15 -0.00 -0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.033 0.042 +[31] 0.043 0.033 0.042 [37] C 3. 0.79 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.15 0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 4. 0.79 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.15 -0.00 -0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[31] 0.041 0.033 0.041 [37] C 5. 0.79 1.00 -0.22 0.00 -0.28 0.06 [73] -0.15 -0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.040 +[31] 0.042 0.034 0.041 [37] C 11. 0.45 1.00 -0.08 -0.06 -0.43 0.11 [73] -0.10 0.00 0.00 0.03 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.066 +[31] 0.069 0.054 0.067 [37] C 12. 0.45 1.00 0.00 -0.31 -0.14 0.11 [73] -0.10 0.01 -0.01 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.068 0.056 0.067 +[31] 0.069 0.057 0.067 [37] C 13. 0.45 1.00 -0.18 -0.25 0.05 0.11 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.070 0.056 0.068 [37] C 14. 0.45 1.00 -0.33 0.00 -0.07 0.11 [73] -0.10 0.00 0.00 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.068 +[31] 0.070 0.054 0.068 [37] C 15. 0.45 1.00 -0.25 0.15 -0.36 0.11 [73] -0.10 -0.00 0.01 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.067 +[31] 0.070 0.054 0.068 [37] C 100. 1.02 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.76 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.23 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.72 4.00 -0.16 -0.10 -0.19 0.05 [22] 0.54 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.15 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12633,8 +12554,8 @@ LS-scale= 6.331 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.173 0.1E+01 0.41 E-01 -4.1 C 1 OCC Composite @@ -12792,15 +12713,15 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [38] Mean -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.025 0.024 +[31] 0.030 0.026 0.025 [71] R.M.S. 0. 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.053 0.051 +[31] 0.056 0.053 0.052 [70] Maximum 0. 0.17 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.130 0.084 +[31] 0.119 0.130 0.084 [03] Reversals @@ -12845,62 +12766,62 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 0.62 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.17 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 2. 0.62 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.17 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.024 0.031 +[31] 0.032 0.024 0.031 [37] C 3. 0.62 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.17 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.031 +[31] 0.032 0.025 0.031 [37] C 4. 0.62 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.031 [37] C 5. 0.62 1.00 -0.22 0.00 -0.28 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 11. 0.39 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.06 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.074 0.059 0.072 [37] C 12. 0.39 1.00 0.00 -0.30 -0.13 0.09 [73] -0.06 0.00 0.01 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.39 1.00 -0.17 -0.24 0.05 0.09 [73] -0.06 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.39 1.00 -0.32 0.01 -0.06 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.39 1.00 -0.25 0.15 -0.35 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.074 0.059 0.073 [37] C 100. 1.88 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.86 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.20 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [37] C 200. 3.04 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.31 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.13 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12989,8 +12910,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.104 0.6E+00 0.34 E-01 -2.9 C 1 OCC Composite @@ -13055,12 +12976,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.040 0.037 0.027 +[31] 0.040 0.037 0.027 [70] Maximum 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.075 0.080 0.047 +[31] 0.075 0.080 0.048 [03] Reversals @@ -13105,62 +13026,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.038 0.030 0.037 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 4. 0.51 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.037 +[31] 0.037 0.030 0.037 [37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.037 0.030 0.037 [37] C 11. 0.36 1.00 -0.09 -0.06 -0.44 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.075 0.060 0.073 [37] C 12. 0.36 1.00 0.00 -0.31 -0.14 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.060 0.072 [37] C 13. 0.36 1.00 -0.17 -0.24 0.05 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.36 1.00 -0.32 0.01 -0.06 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.059 0.074 [37] C 15. 0.36 1.00 -0.25 0.15 -0.36 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.060 0.074 [37] C 100. 2.40 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.52 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.11 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13250,8 +13171,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.95E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.95E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13291,12 +13212,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.010 +[31] 0.014 0.016 0.011 [70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.037 0.026 +[31] 0.033 0.037 0.026 [03] Reversals @@ -13341,62 +13262,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.02 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.49 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.49 1.00 -0.22 0.00 -0.28 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.37 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.064 0.078 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.063 0.076 [37] C 13. 0.37 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.37 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.080 0.063 0.078 [37] C 15. 0.37 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.080 0.063 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0468 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13485,8 +13406,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.86E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 Composite Composite @@ -13602,12 +13523,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.017 +[31] 0.018 0.020 0.018 [03] Reversals @@ -13652,62 +13573,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.062 0.076 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.074 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.075 +[31] 0.078 0.062 0.076 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.03 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0202 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13796,8 +13717,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.81E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13841,12 +13762,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.001 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.003 +[31] 0.007 0.009 0.004 [03] Reversals @@ -13891,62 +13812,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.077 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.075 0.061 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0093 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14035,8 +13956,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.59E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -14080,12 +14001,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.007 0.004 [03] Reversals @@ -14130,62 +14051,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.075 0.060 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.074 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split diff --git a/test_suite/LINUXGH.org/slant.out b/test_suite/LINUXGH.org/slant.out index 1eb1051a4..c517d03a1 100644 --- a/test_suite/LINUXGH.org/slant.out +++ b/test_suite/LINUXGH.org/slant.out @@ -595,9 +595,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 8.70 -0.12 0.0 0.02 -0.00 0.00 0.00 -0.00 0.00 -[35] -0.12 6.28 0.0 -0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 8.71 -0.12 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 +[35] -0.12 6.28 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -622,9 +622,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 -0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -643,9 +643,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 diff --git a/test_suite/LINUXGH.org/sphere.out b/test_suite/LINUXGH.org/sphere.out index 766a587bf..ce50a21b6 100644 --- a/test_suite/LINUXGH.org/sphere.out +++ b/test_suite/LINUXGH.org/sphere.out @@ -400,8 +400,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -438,15 +438,15 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -491,22 +491,22 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -588,8 +588,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -626,15 +626,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -679,22 +679,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -803,8 +803,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.014 0.0E+00 0.593E-02 -2.30 SCALE Composite @@ -852,12 +852,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [03] Reversals @@ -902,22 +902,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -975,8 +975,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.012 -0.1E+01 0.28 E-02 -4.3 O 1 U[33] for 16 parameters @@ -1021,12 +1021,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [03] Reversals @@ -1071,22 +1071,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1168,8 +1168,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1213,12 +1213,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -1263,22 +1263,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1360,8 +1360,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1398,15 +1398,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1451,22 +1451,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1549,8 +1549,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1587,15 +1587,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1640,22 +1640,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -2136,8 +2136,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2174,15 +2174,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [03] Reversals @@ -2227,22 +2227,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2324,8 +2324,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2362,15 +2362,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2415,22 +2415,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -2539,8 +2539,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.016 0.0E+00 0.613E-02 -2.66 SCALE Composite @@ -2588,12 +2588,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [03] Reversals @@ -2638,22 +2638,22 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2713,8 +2713,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.02E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.013 -0.1E+01 0.31 E-02 -4.1 O 1 U[33] for 16 parameters @@ -2759,12 +2759,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.009 0.025 +[31] 0.016 0.010 0.025 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.009 0.025 +[31] 0.016 0.010 0.025 [03] Reversals @@ -2809,22 +2809,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2906,8 +2906,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2951,12 +2951,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [03] Reversals @@ -3001,22 +3001,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3098,8 +3098,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3143,12 +3143,12 @@ All cycle Min function 0.0 0.26E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3193,22 +3193,22 @@ All cycle Min function 0.0 0.26E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3291,8 +3291,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3329,15 +3329,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3382,22 +3382,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3878,8 +3878,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3916,15 +3916,15 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [03] Reversals @@ -3969,22 +3969,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4066,8 +4066,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4104,15 +4104,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4157,22 +4157,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -4281,8 +4281,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.79E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.014 0.0E+00 0.591E-02 -2.38 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.2 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.44 E-02 2.5 O 1 U[33] @@ -4326,12 +4326,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] -0.05 -0.05 0.09 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [03] Reversals @@ -4376,22 +4376,22 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.010 +[31] 0.013 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4449,8 +4449,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -4499,12 +4499,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 0.00 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.030 +[31] 0.014 0.010 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.030 +[31] 0.014 0.010 0.030 [03] Reversals @@ -4549,22 +4549,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4637,8 +4637,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4682,12 +4682,12 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -4732,22 +4732,22 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4829,8 +4829,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4874,12 +4874,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4924,22 +4924,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5022,8 +5022,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5060,15 +5060,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5113,22 +5113,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -5609,8 +5609,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 Composite Composite @@ -5651,15 +5651,15 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [03] Reversals @@ -5704,22 +5704,22 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.01 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5801,8 +5801,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5846,12 +5846,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5896,22 +5896,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5993,8 +5993,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6031,15 +6031,15 @@ All cycle Rw 0.0 9.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6084,22 +6084,22 @@ All cycle Rw 0.0 9.3 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -6208,8 +6208,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.78E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.017 0.0E+00 0.612E-02 -2.74 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.0 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.46 E-02 2.5 O 1 U[33] @@ -6253,12 +6253,12 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [03] Reversals @@ -6303,22 +6303,22 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.08 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6378,8 +6378,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -6428,12 +6428,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 -0.01 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.011 0.033 +[31] 0.016 0.012 0.034 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.011 0.033 +[31] 0.016 0.012 0.034 [03] Reversals @@ -6478,22 +6478,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6568,8 +6568,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6613,12 +6613,12 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [03] Reversals @@ -6663,22 +6663,22 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6756,8 +6756,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6798,15 +6798,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6851,22 +6851,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6949,8 +6949,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6987,15 +6987,15 @@ All cycle Rw 0.0 9.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7040,22 +7040,22 @@ All cycle Rw 0.0 9.3 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 diff --git a/test_suite/LINUXGH.org/td-part.out b/test_suite/LINUXGH.org/td-part.out index 9f9416735..027c8bb3b 100644 --- a/test_suite/LINUXGH.org/td-part.out +++ b/test_suite/LINUXGH.org/td-part.out @@ -194,8 +194,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -234,15 +234,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -376,8 +376,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -419,15 +419,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -561,8 +561,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -599,15 +599,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18907,8 +18907,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -18947,15 +18947,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19089,8 +19089,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -19132,15 +19132,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19274,8 +19274,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -19312,15 +19312,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals diff --git a/test_suite/LINUXGH.org/td-tors.out b/test_suite/LINUXGH.org/td-tors.out index 472711915..46a5df0d6 100644 --- a/test_suite/LINUXGH.org/td-tors.out +++ b/test_suite/LINUXGH.org/td-tors.out @@ -341,8 +341,8 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.65E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.65E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 2E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -382,12 +382,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.000 +[31] 0.007 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.001 0.000 +[31] 0.013 0.001 0.001 [03] Reversals @@ -432,22 +432,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.004 0.006 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #TORS @@ -466,18 +466,18 @@ O 8 1 1 0 0 0 0.3999 0.0622 0.3236 Variance-covariance matrix of selected atoms (x10^6) -[35] 14.20 -10.62 -3.1 6.24 -1.65 1.35 0.84 1.50 0.48 -[35] -10.62 33.13 3.7 -1.53 9.25 0.64 -1.43 -0.60 -4.49 -[35] -3.11 3.70 7.8 1.18 0.58 5.17 4.90 -0.37 6.40 -[35] 6.24 -1.53 1.1 5.02 -0.25 1.89 4.12 0.21 1.71 -[35] -1.65 9.25 0.5 -0.25 5.50 0.12 -0.18 3.79 -0.73 -[35] 1.35 0.64 5.1 1.89 0.12 4.85 2.32 -0.09 4.94 -[35] 0.84 -1.43 4.9 4.12 -0.18 2.32 9.92 -1.65 4.26 -[35] 1.50 -0.60 -0.3 0.21 3.79 -0.09 -1.65 9.74 2.16 -[35] 0.48 -4.49 6.4 1.71 -0.73 4.94 4.26 2.16 7.66 -[35] 5.43 5.48 0.8 4.96 0.76 1.87 0.88 1.07 0.13 -[35] 2.28 0.22 -0.9 0.27 4.25 -0.06 2.28 1.27 -0.68 -[35] 5.83 3.28 1.7 2.63 0.61 4.51 -1.70 -2.11 1.04 +[35] 14.20 -10.62 -3.11 6.25 -1.66 1.35 0.84 1.50 0.48 +[35] -10.62 33.14 3.71 -1.54 9.26 0.64 -1.43 -0.60 -4.50 +[35] -3.11 3.71 7.85 1.19 0.59 5.17 4.90 -0.37 6.41 +[35] 6.25 -1.54 1.19 5.02 -0.26 1.89 4.12 0.21 1.72 +[35] -1.66 9.26 0.59 -0.26 5.51 0.13 -0.19 3.80 -0.74 +[35] 1.35 0.64 5.17 1.89 0.13 4.86 2.32 -0.09 4.94 +[35] 0.84 -1.43 4.90 4.12 -0.19 2.32 9.92 -1.65 4.27 +[35] 1.50 -0.60 -0.37 0.21 3.80 -0.09 -1.65 9.75 2.16 +[35] 0.48 -4.50 6.41 1.72 -0.74 4.94 4.27 2.16 7.67 +[35] 5.43 5.48 0.83 4.96 0.76 1.88 0.89 1.08 0.13 +[35] 2.28 0.23 -0.92 0.28 4.25 -0.06 2.29 1.27 -0.69 +[35] 5.84 3.29 1.78 2.63 0.62 4.52 -1.71 -2.11 1.05 @@ -574,11 +574,11 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.58E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.58E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 Inversion method: Automatic -Block No 2. Single precision relative error: 3.90E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.90E-07 +[80a] Block No 2. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 52 parameters [64] The rms (shift/su) = 0. @@ -618,12 +618,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [03] Reversals @@ -668,52 +668,52 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] CU 1. 1.00 0.00 0.44 -0.08 0.54 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] O 2. 1.00 0.00 0.40 0.12 0.57 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.43 0.25 0.55 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] O 4. 1.00 0.00 0.49 0.26 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.39 0.39 0.58 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] O 10. 1.00 0.00 0.37 -0.20 0.63 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.000 0.000 +[31] 0.004 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #USE TORSION.DAT @@ -750,18 +750,18 @@ O 10 1 1 0 1 0 0.3764 0.7910 0.6334 Variance-covariance matrix of selected atoms (x10^6) -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 diff --git a/test_suite/LINUXGH.org/td_rest.out b/test_suite/LINUXGH.org/td_rest.out index b167b4163..b5ee393ed 100644 --- a/test_suite/LINUXGH.org/td_rest.out +++ b/test_suite/LINUXGH.org/td_rest.out @@ -501,8 +501,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -540,15 +540,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -593,12 +593,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -815,8 +815,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -854,15 +854,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -907,12 +907,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1063,8 +1063,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1101,15 +1101,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1154,12 +1154,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1299,8 +1299,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1337,15 +1337,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1390,12 +1390,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1546,8 +1546,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.52E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.52E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 7 7 -0.025 0.0E+00 0.13 E-02 -18.8 C 7 U[11] [14] S/ESD 12 12 -0.011 0.0E+00 0.13 E-02 -8.3 C 7 U[12] @@ -1586,15 +1586,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1639,12 +1639,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1799,8 +1799,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.85E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 1 1 0.023 0.0E+00 0.12 E-02 18.1 O 6 U[11] [14] S/ESD 6 6 0.010 0.0E+00 0.12 E-02 8.0 O 6 U[12] @@ -1839,15 +1839,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1892,12 +1892,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.08 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2048,8 +2048,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9.36E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2086,15 +2086,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2139,12 +2139,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2284,8 +2284,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.93E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2322,15 +2322,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2375,12 +2375,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2533,10 +2533,10 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.56E-03 +[80a] Block No 1. Single precision relative error: 4E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 6.64E-12 -[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 6.64E-12 +[80a] Block No 1. Double precision relative error: 7E-12 +[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 7E-12 for 6 parameters [64] The rms (shift/su) = 0. @@ -2576,12 +2576,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.021 +[31] 0.011 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.027 +[31] 0.014 0.018 0.027 [03] Reversals @@ -2626,12 +2626,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.105 0.091 0.079 +[31] 0.105 0.091 0.080 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.124 0.108 0.081 +[31] 0.124 0.109 0.081 [84] Mean C-C su = 0.09 #CYCLENDS #CHECK HI @@ -2756,8 +2756,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.44E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6.44E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2797,12 +2797,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 -0.01 -0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.016 0.030 +[31] 0.011 0.017 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.023 0.041 +[31] 0.015 0.023 0.042 [03] Reversals @@ -2847,12 +2847,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.108 0.092 0.097 +[31] 0.108 0.093 0.097 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.106 0.047 +[31] 0.119 0.107 0.048 [84] Mean C-C su = 0.09 #CYCLENDS #SFLS @@ -2935,8 +2935,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 6.77E-04 +[80a] Block No 1. Single precision relative error: 7E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 7E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2976,12 +2976,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.001 0.006 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.002 0.008 +[31] 0.006 0.002 0.009 [03] Reversals @@ -3026,12 +3026,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.021 +[31] 0.024 0.021 0.022 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.024 0.010 +[31] 0.027 0.024 0.011 [84] Mean C-C su = 0.02 #CYCLENDS #CHECK HI diff --git a/test_suite/LINUXGH.org/test-rest.out b/test_suite/LINUXGH.org/test-rest.out index 170c88d2c..f4d25e081 100644 --- a/test_suite/LINUXGH.org/test-rest.out +++ b/test_suite/LINUXGH.org/test-rest.out @@ -308,8 +308,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.11E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 for 131 parameters [64] The rms (shift/su) = 1. @@ -349,12 +349,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.006 0.007 +[31] 0.014 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.016 0.015 +[31] 0.036 0.017 0.016 [03] Reversals @@ -399,102 +399,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.019 +[31] 0.023 0.022 0.019 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.027 0.026 0.025 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.024 0.024 +[31] 0.026 0.025 0.025 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.034 0.033 0.033 +[31] 0.034 0.033 0.034 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.027 +[31] 0.025 0.025 0.028 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.029 0.031 +[31] 0.033 0.030 0.032 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.032 +[31] 0.036 0.037 0.032 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.036 0.035 0.033 +[31] 0.037 0.035 0.034 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.017 +[31] 0.017 0.023 0.018 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -768,8 +768,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.45E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.45E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 121 parameters [64] The rms (shift/su) = 0. @@ -809,12 +809,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.007 0.006 +[31] 0.014 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.016 0.013 +[31] 0.037 0.017 0.013 [03] Reversals @@ -859,102 +859,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.017 +[31] 0.021 0.020 0.017 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.023 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.022 0.022 +[31] 0.023 0.022 0.022 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.029 +[31] 0.030 0.030 0.030 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.024 +[31] 0.022 0.022 0.025 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.026 0.028 +[31] 0.029 0.026 0.028 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.031 0.032 0.028 +[31] 0.032 0.033 0.029 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.030 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.015 +[31] 0.015 0.021 0.016 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -1134,8 +1134,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-04 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3.01E-04 +[80a] Block No 1. Single precision relative error: 3E-04 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3E-04 [14] S/ESD 98 98 -0.010 0.1E+01 0.10 E-01 -1.0 H 101 X for 121 parameters @@ -1176,12 +1176,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.013 0.021 +[31] 0.023 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.050 0.043 0.081 +[31] 0.050 0.044 0.081 [03] Reversals @@ -1226,102 +1226,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.003 0.004 0.004 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.007 0.003 0.013 +[31] 0.008 0.003 0.014 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.038 0.036 0.037 +[31] 0.038 0.037 0.037 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.037 0.036 0.035 +[31] 0.037 0.036 0.036 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.01 0.00 0.00 0.01 -[31] 0.049 0.047 0.048 +[31] 0.050 0.048 0.049 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.039 +[31] 0.036 0.036 0.040 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.017 0.027 0.036 +[31] 0.017 0.028 0.036 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.025 0.030 +[31] 0.031 0.026 0.030 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.028 0.025 0.039 +[31] 0.028 0.025 0.040 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.034 0.034 +[31] 0.035 0.034 0.034 [84] Mean C-C su = 0.00 #CYCLENDS #END diff --git a/test_suite/LINUXGH.org/test1.out b/test_suite/LINUXGH.org/test1.out index 02bc1357e..f0a64d64e 100644 --- a/test_suite/LINUXGH.org/test1.out +++ b/test_suite/LINUXGH.org/test1.out @@ -471,8 +471,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -512,12 +512,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -562,57 +562,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -694,8 +694,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -739,12 +739,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -789,57 +789,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -921,8 +921,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -959,15 +959,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1012,57 +1012,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1157,8 +1157,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1201,12 +1201,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1251,57 +1251,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1383,8 +1383,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1428,12 +1428,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1478,57 +1478,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1610,8 +1610,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1655,12 +1655,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1705,57 +1705,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1837,8 +1837,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1879,15 +1879,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1932,57 +1932,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2079,8 +2079,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2132,15 +2132,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2185,57 +2185,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2317,8 +2317,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2363,15 +2363,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2416,57 +2416,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2688,6 +2688,7 @@ LS-scale= 1.733 Wilson Scale= 0.000 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2957,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2997,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3050,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3182,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3224,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3277,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3409,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3451,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3504,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3965,8 +3966,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.83E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4006,12 +4007,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -4056,57 +4057,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4188,8 +4189,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.78E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4233,12 +4234,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -4283,57 +4284,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4415,8 +4416,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4460,12 +4461,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4510,57 +4511,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4655,8 +4656,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.025 0.0E+00 0.143E-01 1.76 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.7 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.0 N 6 U[ISO] @@ -4699,12 +4700,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4749,57 +4750,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4881,8 +4882,8 @@ LS-scale= 1.482 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -4926,12 +4927,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4976,57 +4977,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5108,8 +5109,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5153,12 +5154,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -5203,57 +5204,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5335,8 +5336,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5377,15 +5378,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -5430,57 +5431,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5577,8 +5578,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1E-05 S/ESD 1 1 0.023 0.0E+00 0.140E-01 1.62 SCALE [13] LARGE 2 2 46.8 0.0E+00 0.9 E+01 4.8 EXTPARAM [14] S/ESD 15 15 0.019 0.0E+00 0.38 E-02 5.0 O 3 U[11] @@ -5631,15 +5632,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 23.43 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 33. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 46. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5684,57 +5685,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5816,8 +5817,8 @@ LS-scale= 1.510 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.24E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.24E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 S/ESD 1 1 0.020 0.9E+00 0.128E-01 1.59 SCALE [44] Resetting shift for Extinction Shift= 46.0 Esd= 9.6 New shift= 9.37 [13] LARGE 2 2 9.3 0.1E+01 0.9 E+01 4.7 EXTPARAM @@ -5861,15 +5862,15 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [38] Mean 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 6. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 9. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5914,60 +5915,61 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -6200,6 +6202,7 @@ LS-scale= 1.531 Wilson Scale= 0.000 List 5 now contains 22 atom(s) #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -6469,8 +6472,8 @@ LS-scale= 1.531 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.034 0.0E+00 0.111E-01 -3.06 SCALE [14] S/ESD 22 22 -0.041 0.0E+00 0.41 E-02 -10.1 C 4 U[ISO] [14] S/ESD 43 43 0.010 0.0E+00 0.11 E-02 8.6 O 8 U[ISO] @@ -6510,15 +6513,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.002 0.001 +[31] -0.000 0.003 0.001 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.009 +[31] 0.006 0.006 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.017 +[31] 0.012 0.013 0.017 [03] Reversals @@ -6563,57 +6566,57 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.03 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.010 0.009 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6695,8 +6698,8 @@ LS-scale= 1.497 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.28E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6737,15 +6740,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.007 +[31] 0.002 0.004 0.008 [03] Reversals @@ -6790,57 +6793,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6922,8 +6925,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.27E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6967,12 +6970,12 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.001 [03] Reversals @@ -7017,57 +7020,57 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -7477,8 +7480,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -7519,12 +7522,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -7569,57 +7572,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -7701,8 +7704,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7746,12 +7749,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -7796,57 +7799,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7928,8 +7931,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7973,12 +7976,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -8023,57 +8026,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8168,8 +8171,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -8211,12 +8214,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -8261,57 +8264,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8393,8 +8396,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8438,12 +8441,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8488,57 +8491,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8620,8 +8623,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8665,12 +8668,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -8715,57 +8718,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8847,8 +8850,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8885,15 +8888,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8938,57 +8941,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9085,8 +9088,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -9140,15 +9143,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9193,57 +9196,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9325,8 +9328,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -9371,15 +9374,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9424,60 +9427,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -9705,6 +9709,7 @@ LS-scale= 1.687 Wilson Scale= 0.000 List 5 now contains 22 atom(s) #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -9974,8 +9979,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -10014,15 +10019,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -10067,57 +10072,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10199,8 +10204,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10241,15 +10246,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -10294,57 +10299,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10426,8 +10431,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10471,12 +10476,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -10521,57 +10526,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -10981,8 +10986,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -11023,12 +11028,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -11073,57 +11078,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -11205,8 +11210,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11250,12 +11255,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -11300,57 +11305,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11432,8 +11437,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11477,12 +11482,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -11527,57 +11532,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11672,8 +11677,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -11715,12 +11720,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -11765,57 +11770,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11897,8 +11902,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -11942,12 +11947,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -11992,57 +11997,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12124,8 +12129,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12169,12 +12174,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -12219,57 +12224,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12351,8 +12356,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12389,15 +12394,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12442,57 +12447,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -12589,8 +12594,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -12644,15 +12649,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12697,57 +12702,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12829,8 +12834,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -12875,15 +12880,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12928,60 +12933,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -13209,6 +13215,7 @@ LS-scale= 1.687 Wilson Scale= 0.000 List 5 now contains 22 atom(s) #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -13478,8 +13485,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -13518,15 +13525,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -13571,57 +13578,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13703,8 +13710,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13745,15 +13752,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -13798,57 +13805,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13930,8 +13937,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13975,12 +13982,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14025,57 +14032,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGH.org/test2.out b/test_suite/LINUXGH.org/test2.out index b572a11ce..74e7019dd 100644 --- a/test_suite/LINUXGH.org/test2.out +++ b/test_suite/LINUXGH.org/test2.out @@ -363,6 +363,7 @@ Bonds: Update required - There is no list 41 #REGROUP List now contains 10 atoms #DISTANCES +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -815,7 +816,7 @@ Refining 41 parameters in 1 block : 959 elements in the LS matrix. Keen in P21/c Date Time - Print list type 12 serial number 2 Address 89410 Length 52 Created on + Print list type 12 serial number 2 Address 89609 Length 52 Created on 0 BLOCK SCALE X'S, U[ISO] @@ -905,8 +906,8 @@ LS-scale= 4.136 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.82E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.82E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 [13] LARGE 1 1 1.4 0.0E+00 0.3 E+00 3.7 SCALE for 41 parameters @@ -944,15 +945,15 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [38] Mean 1.41 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.000 0.007 +[31] -0.001 0.001 0.008 [71] R.M.S. 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.036 0.021 +[31] 0.019 0.036 0.022 [70] Maximum 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.089 0.046 +[31] 0.041 0.089 0.047 [03] Reversals @@ -997,52 +998,52 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.015 +[31] 0.016 0.014 0.015 [37] C 9. 1.00 1.00 0.01 0.09 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.025 0.023 0.022 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1124,8 +1125,8 @@ LS-scale= 4.303 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.25E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.25E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1169,12 +1170,12 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.004 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.015 +[31] 0.010 0.015 0.015 [03] Reversals @@ -1219,52 +1220,52 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.02 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.019 +[31] 0.021 0.020 0.019 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1346,8 +1347,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1388,15 +1389,15 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.001 0.003 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.006 0.002 +[31] 0.001 0.007 0.002 [03] Reversals @@ -1441,52 +1442,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1568,8 +1569,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1613,12 +1614,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -1663,52 +1664,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1790,8 +1791,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1828,15 +1829,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -1881,52 +1882,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2009,8 +2010,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -2047,15 +2048,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2100,52 +2101,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -2242,8 +2243,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.26E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.26E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 42 42 0.010 0.0E+00 0.60 E-02 1.7 C 5 U[22] [14] S/ESD 52 52 -0.010 0.0E+00 0.58 E-02 -1.7 C 6 U[33] [14] S/ESD 59 59 0.022 0.0E+00 0.66 E-02 3.3 C 7 U[11] @@ -2295,12 +2296,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.03 0.01 0.01 0.01 0.01 -[31] 0.012 0.005 0.003 +[31] 0.012 0.006 0.004 [03] Reversals @@ -2345,52 +2346,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.03 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2472,8 +2473,8 @@ LS-scale= 4.287 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.36E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 78 78 0.019 0.5E+00 0.12 E-01 1.5 C 9 U[22] for 91 parameters @@ -2518,12 +2519,12 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.007 [03] Reversals @@ -2568,52 +2569,52 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.012 +[31] 0.015 0.012 0.012 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.013 0.014 0.011 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.016 +[31] 0.014 0.020 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2695,8 +2696,8 @@ LS-scale= 4.308 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2740,12 +2741,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.002 0.004 0.003 [03] Reversals @@ -2790,52 +2791,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.022 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2917,8 +2918,8 @@ LS-scale= 4.311 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2962,12 +2963,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [03] Reversals @@ -3012,52 +3013,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3139,8 +3140,8 @@ LS-scale= 4.312 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.38E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.38E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -3180,12 +3181,12 @@ All cycle Rw 0.0 44. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -3230,52 +3231,52 @@ All cycle Rw 0.0 44. 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -3298,36 +3299,36 @@ All cycle Rw 0.0 44. 0.10E+03 Reflections with greatest unexpected extra intensity: h k l (Fo2-Fc2)/s Fo^2 Fc^2 Sigma -[94] 1 5 2 56.18 2883.1 8. 51.2 -[94] 2 3 4 54.41 7139.2 294. 125.8 -[94] 0 1 3 53.85 1068.6 3. 19.8 -[94] 1 4 0 51.95 14475.9 1210. 255.3 -[94] 2 2 1 51.48 1019.6 161. 16.7 -[94] -1 3 2 49.97 27836.6 21. 556.6 -[94] 2 1 5 49.85 3549.5 334. 64.5 -[94] 1 1 7 49.63 1803.8 10. 36.1 -[94] -1 3 1 48.26 16032.5 49. 331.2 -[94] 1 2 4 48.04 7929.7 315. 158.5 -[94] 4 2 2 47.95 3638.6 18. 75.5 -[94] 1 6 0 46.90 1748.1 476. 27.1 -[94] 1 7 3 46.43 4585.1 7. 98.6 -[94] -1 4 4 45.81 2768.0 249. 55.0 -[94] 1 4 5 45.35 2854.0 6. 62.8 -[94] 1 7 1 45.31 5566.9 195. 118.5 -[94] 1 3 6 45.25 10318.9 1924. 185.5 -[94] -1 5 1 45.05 1132.8 176. 21.2 -[94] 2 1 3 42.93 4017.0 1240. 64.7 -[94] 3 2 1 42.93 18145.0 5482. 295.0 -[94] 3 1 1 42.73 10184.8 3721. 151.3 -[94] -1 7 3 41.11 3420.5 628. 67.9 -[94] 1 3 2 40.51 21453.3 8853. 311.1 -[94] 3 1 7 39.98 2458.5 93. 59.1 -[94] -2 1 4 39.49 6914.0 13. 174.7 -[94] 3 3 6 39.35 9058.6 218. 224.7 -[94] -1 1 6 39.09 16077.7 3226. 328.7 -[94] -1 4 3 39.09 27203.2 6960. 517.8 -[94] 5 1 0 39.07 4400.8 544. 98.7 -[94] -2 1 2 38.92 5904.6 1166. 121.7 +[94] 1 5 2 56.18 2883.1 9 51.2 +[94] 2 3 4 54.41 7139.2 294 125.8 +[94] 0 1 3 53.85 1068.6 3 19.8 +[94] 1 4 0 51.95 14475.9 1210 255.3 +[94] 2 2 1 51.48 1019.6 161 16.7 +[94] -1 3 2 49.97 27836.6 21 556.6 +[94] 2 1 5 49.85 3549.5 334 64.5 +[94] 1 1 7 49.63 1803.8 11 36.1 +[94] -1 3 1 48.26 16032.5 49 331.2 +[94] 1 2 4 48.04 7929.7 315 158.5 +[94] 4 2 2 47.95 3638.6 19 75.5 +[94] 1 6 0 46.90 1748.1 477 27.1 +[94] 1 7 3 46.43 4585.1 8 98.6 +[94] -1 4 4 45.81 2768.0 250 55.0 +[94] 1 4 5 45.35 2854.0 6 62.8 +[94] 1 7 1 45.31 5566.9 195 118.5 +[94] 1 3 6 45.25 10318.9 1924 185.5 +[94] -1 5 1 45.05 1132.8 177 21.2 +[94] 2 1 3 42.93 4017.0 1241 64.7 +[94] 3 2 1 42.93 18145.0 5483 295.0 +[94] 3 1 1 42.73 10184.8 3721 151.3 +[94] -1 7 3 41.11 3420.5 628 67.9 +[94] 1 3 2 40.51 21453.3 8854 311.1 +[94] 3 1 7 39.98 2458.5 94 59.1 +[94] -2 1 4 39.49 6914.0 14 174.7 +[94] 3 3 6 39.35 9058.6 218 224.7 +[94] -1 1 6 39.09 16077.7 3227 328.7 +[94] -1 4 3 39.09 27203.2 6961 517.8 +[94] 5 1 0 39.07 4400.8 544 98.7 +[94] -2 1 2 38.92 5904.6 1167 121.7 Each set of indices above is transformed by the printed rotation matrix. How far the transformed indices are @@ -3617,7 +3618,7 @@ LS-scale= 4.747 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 12 serial number 4 Address 170418 Length 84 Created on + Print list type 12 serial number 4 Address 170617 Length 84 Created on 0 FULL X'S 1 SUMFIX ELEMENT SCALES @@ -3714,8 +3715,8 @@ LS-scale= 4.747 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 2 @@ -3757,12 +3758,12 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.018 +[31] 0.020 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.028 0.038 +[31] 0.042 0.028 0.038 [03] Reversals @@ -3818,52 +3819,52 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.012 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3945,8 +3946,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 1 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 2 @@ -3992,12 +3993,12 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -4053,52 +4054,52 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4180,8 +4181,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4225,12 +4226,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -4286,52 +4287,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4413,8 +4414,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4458,12 +4459,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -4519,52 +4520,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4646,8 +4647,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4688,15 +4689,15 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -4752,52 +4753,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -4808,7 +4809,7 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 5 Address 176876 Length 112 Created on + Print list type 12 serial number 5 Address 177075 Length 112 Created on 0 BLOCK SCALE X'S CL(10,U[ISO]) 1 SUMFIX ELEMENT SCALES @@ -4904,8 +4905,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 1. @@ -4945,12 +4946,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [03] Reversals @@ -5006,52 +5007,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5133,8 +5134,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5175,15 +5176,15 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -5239,52 +5240,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5366,8 +5367,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5404,15 +5405,15 @@ All cycle Rw 0.0 18. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5468,52 +5469,52 @@ All cycle Rw 0.0 18. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -5524,7 +5525,7 @@ All cycle Rw 0.0 18. 0.10E+03 Keen in P21/c Date Time - Print list type 12 serial number 6 Address 179589 Length 148 Created on + Print list type 12 serial number 6 Address 179788 Length 148 Created on 0 BLOCK SCALE X'S FIRST(U[ISO]) UNTIL C(9) CL(10,U'S) 1 SUMFIX ELEMENT SCALES @@ -5621,8 +5622,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.7 C 9 U[ISO] for 47 parameters @@ -5663,12 +5664,12 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.005 +[31] 0.009 0.006 0.005 [03] Reversals @@ -5724,52 +5725,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5851,8 +5852,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -5893,15 +5894,15 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -5957,52 +5958,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6084,8 +6085,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6126,15 +6127,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6190,52 +6191,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6317,8 +6318,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6359,15 +6360,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6423,52 +6424,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6550,8 +6551,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6592,15 +6593,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6656,52 +6657,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -6712,7 +6713,7 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 7 Address 179589 Length 148 Created on + Print list type 12 serial number 7 Address 179788 Length 148 Created on 0 FULL X'S U'S 1 SUMFIX ELEMENT SCALES @@ -6809,8 +6810,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.026 0.0E+00 0.28 E-02 9.3 C 7 U[11] [14] S/ESD 60 60 -0.015 0.0E+00 0.28 E-02 -5.3 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -6861,12 +6862,12 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.005 0.003 +[31] 0.004 0.006 0.003 [03] Reversals @@ -6922,52 +6923,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.03 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7049,8 +7050,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.89E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 5.0 C 7 U[11] [14] S/ESD 78 78 0.015 0.5E+00 0.32 E-02 4.8 C 9 U[22] @@ -7096,12 +7097,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -7157,52 +7158,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7284,8 +7285,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.69E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.69E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7329,12 +7330,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -7390,52 +7391,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7517,8 +7518,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.93E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.93E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7562,12 +7563,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -7623,52 +7624,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7750,8 +7751,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.99E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.99E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7792,15 +7793,15 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7856,52 +7857,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -8222,8 +8223,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.89E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.024 0.0E+00 0.964E-02 -2.47 SCALE for 92 parameters @@ -8264,12 +8265,12 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.006 +[31] 0.010 0.011 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.025 0.016 +[31] 0.018 0.025 0.016 [03] Reversals @@ -8325,52 +8326,52 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8452,8 +8453,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.34 SCALE for 92 parameters @@ -8498,12 +8499,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -8559,52 +8560,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8686,8 +8687,8 @@ LS-scale= 4.743 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.29 SCALE for 92 parameters @@ -8729,15 +8730,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8793,52 +8794,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8920,8 +8921,8 @@ LS-scale= 4.739 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.031 0.1E+01 0.960E-02 -3.23 SCALE for 92 parameters @@ -8963,15 +8964,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9027,52 +9028,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9154,8 +9155,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.030 0.1E+01 0.960E-02 -3.17 SCALE for 92 parameters @@ -9197,15 +9198,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9261,52 +9262,52 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -9569,7 +9570,7 @@ The slope and correlation coefficient should be small List type 11 with serial number 136 is the current version. You may still save this list with DELETE n ACTION=NO #PURGE - List type 11 serial number 136 from 183473 to 187911 will not be copied ( deleted ) + List type 11 serial number 136 from 183672 to 188110 will not be copied ( deleted ) The Data file is being rebuilt - DO NOT abort the program The new disc index has been re-written @@ -9654,8 +9655,8 @@ LS-scale= 4.733 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.20E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.20E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.5E+00 0.965E-02 -1.68 SCALE for 92 parameters @@ -9693,15 +9694,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.002 [03] Reversals @@ -9757,52 +9758,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9884,8 +9885,8 @@ LS-scale= 4.731 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.97E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.97E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.70 SCALE for 92 parameters @@ -9927,15 +9928,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9991,52 +9992,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10118,8 +10119,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.67 SCALE for 92 parameters @@ -10161,15 +10162,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10225,52 +10226,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10352,8 +10353,8 @@ LS-scale= 4.728 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.64 SCALE for 92 parameters @@ -10395,15 +10396,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10459,52 +10460,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10586,8 +10587,8 @@ LS-scale= 4.726 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.62 SCALE for 92 parameters @@ -10629,15 +10630,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10693,52 +10694,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10975,8 +10976,8 @@ LS-scale= 4.724 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.59 SCALE for 92 parameters @@ -11014,15 +11015,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11078,52 +11079,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11206,8 +11207,8 @@ LS-scale= 4.723 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.56 SCALE for 92 parameters @@ -11245,15 +11246,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11309,52 +11310,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11437,8 +11438,8 @@ LS-scale= 4.721 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.53 SCALE for 92 parameters @@ -11476,15 +11477,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11540,52 +11541,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11668,8 +11669,8 @@ LS-scale= 4.720 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.51 SCALE for 92 parameters @@ -11707,15 +11708,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11771,52 +11772,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11899,8 +11900,8 @@ LS-scale= 4.718 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.48 SCALE for 92 parameters @@ -11938,15 +11939,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12002,52 +12003,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12130,8 +12131,8 @@ LS-scale= 4.717 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.45 SCALE for 92 parameters @@ -12169,15 +12170,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12233,52 +12234,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12455,6 +12456,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Mean electron density at original atomic sites is -0.02 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -12508,6 +12510,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Atom Serial S(I) L T(X) T(Y) T(Z) N 4. 1 1 0 0 0 1.320 0.002 + H 31. 1 1 0 0 0 0.964 0.000 Angles about atom C 3. @@ -12516,14 +12519,16 @@ LS-scale= 4.715 Wilson Scale= 4.723 1 N 2. 1 1 0 0 0 [49] 2 N 4. 1 1 0 0 0 109.1 0.1 +[49] 3 H 31. 1 1 0 0 0 124.9 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom N 4. X = 0.332 Y = 0.019 Z = 0.658 Atom Serial S(I) L T(X) T(Y) T(Z) C 5. 1 1 0 0 0 1.367 0.002 + H 1. 1 1 0 0 0 0.949 0.000 Angles about atom N 4. @@ -12532,14 +12537,16 @@ LS-scale= 4.715 Wilson Scale= 4.723 1 C 3. 1 1 0 0 0 [49] 2 C 5. 1 1 0 0 0 108.7 0.1 +[49] 3 H 1. 1 1 0 0 0 125.6 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom C 5. X = 0.492 Y = 0.086 Z = 0.712 Atom Serial S(I) L T(X) T(Y) T(Z) C 6. 1 1 0 0 0 1.350 0.002 + H 51. 1 1 0 0 0 0.962 0.000 Angles about atom C 5. @@ -12548,11 +12555,16 @@ LS-scale= 4.715 Wilson Scale= 4.723 1 N 4. 1 1 0 0 0 [49] 2 C 6. 1 1 0 0 0 107.2 0.1 +[49] 3 H 51. 1 1 0 0 0 126.8 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom C 6. X = 0.468 Y = 0.147 Z = 0.805 + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 61. 1 1 0 0 0 0.958 0.000 + Angles about atom C 6. @@ -12560,8 +12572,69 @@ LS-scale= 4.715 Wilson Scale= 4.723 1 N 2. 1 1 0 0 0 [49] 2 C 5. 1 1 0 0 0 106.9 0.1 +[49] 3 H 61. 1 1 0 0 0 125.7 0.1 + + KEY 1 2 + +[21] Distances about atom C 7. X = 0.191 Y = 0.312 Z = 0.879 + + Atom Serial S(I) L T(X) T(Y) T(Z) - KEY 1 + H 71. 1 1 0 0 0 0.955 0.000 + H 72. 1 1 0 0 0 0.962 0.000 + H 73. 1 1 0 0 0 0.950 0.000 + + + Angles about atom C 7. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 71. 1 1 0 0 0 110.4 0.1 +[49] 3 H 72. 1 1 0 0 0 109.8 0.1 +[49] 4 H 73. 1 1 0 0 0 110.9 0.1 + + KEY 1 2 3 + +[21] Distances about atom C 8. X = 0.323 Y = 0.128 Z = 1.015 + + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 81. 1 1 0 0 0 0.955 0.000 + H 82. 1 1 0 0 0 0.960 0.000 + H 83. 1 1 0 0 0 0.949 0.000 + + + Angles about atom C 8. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 81. 1 1 0 0 0 110.3 0.1 +[49] 3 H 82. 1 1 0 0 0 109.8 0.1 +[49] 4 H 83. 1 1 0 0 0 110.7 0.1 + + KEY 1 2 3 + +[21] Distances about atom C 9. X = 0.011 Y = 0.105 Z = 0.866 + + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 91. 1 1 0 0 0 0.954 0.000 + H 92. 1 1 0 0 0 0.975 0.000 + H 93. 1 1 0 0 0 0.950 0.000 + + + Angles about atom C 9. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 91. 1 1 0 0 0 111.2 0.1 +[49] 3 H 92. 1 1 0 0 0 110.0 0.1 +[49] 4 H 93. 1 1 0 0 0 111.6 0.1 + + KEY 1 2 3 #SUM L 12 Summary of contents of list 12 - Refinement directives @@ -12569,7 +12642,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 12 serial number 8 Address 72371 Length 148 Created on + Print list type 12 serial number 8 Address 72570 Length 148 Created on 0 BLOCK SCALE X'S, U'S 1 SUMFIX ELEMENT SCALES @@ -12583,7 +12656,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 16 serial number 4 Address 70638 Length 576 Created on + Print list type 16 serial number 4 Address 70837 Length 576 Created on 0 LIMIT 0.01000000 ELEMENT SCALES 1 LIMIT 0.01000000 SCALE @@ -12608,7 +12681,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 17 serial number 8 Address 3709 Length 36 Created on + Print list type 17 serial number 8 Address 3908 Length 36 Created on 0 NO @@ -12700,7 +12773,7 @@ LS-scale= 4.746 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 12 serial number 9 Address 72371 Length 148 Created on + Print list type 12 serial number 9 Address 72570 Length 148 Created on 0 FULL X'S 1 SUMFIX ELEMENT SCALES @@ -12797,8 +12870,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.11E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.13 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -12841,12 +12914,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -12902,52 +12975,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13029,8 +13102,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.85E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.62 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 2 @@ -13077,12 +13150,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.007 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.005 +[31] 0.019 0.004 0.005 [03] Reversals @@ -13138,52 +13211,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13265,8 +13338,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.67 SCALE for 32 parameters @@ -13311,12 +13384,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.002 0.002 [03] Reversals @@ -13372,52 +13445,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13499,8 +13572,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.83E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.44 SCALE for 32 parameters @@ -13545,12 +13618,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -13606,52 +13679,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13733,8 +13806,8 @@ LS-scale= 4.843 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -13775,15 +13848,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -13839,52 +13912,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -13895,7 +13968,7 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 10 Address 72371 Length 148 Created on + Print list type 12 serial number 10 Address 72570 Length 148 Created on 0 BLOCK SCALE X'S CL(10,U[ISO]) 1 SUMFIX ELEMENT SCALES @@ -13991,8 +14064,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.08 SCALE for 33 parameters @@ -14030,15 +14103,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14094,52 +14167,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14221,8 +14294,8 @@ LS-scale= 4.831 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.51 SCALE for 33 parameters @@ -14264,15 +14337,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -14328,52 +14401,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14455,8 +14528,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14497,15 +14570,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14561,52 +14634,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14688,8 +14761,8 @@ LS-scale= 4.810 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14730,15 +14803,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14794,52 +14867,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14921,8 +14994,8 @@ LS-scale= 4.804 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14963,15 +15036,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15027,52 +15100,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -15083,7 +15156,7 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 11 Address 72371 Length 148 Created on + Print list type 12 serial number 11 Address 72570 Length 148 Created on 0 BLOCK SCALE X'S FIRST(U[ISO]) UNTIL C(9) CL(10,U'S) 1 SUMFIX ELEMENT SCALES @@ -15180,8 +15253,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.4 C 9 U[ISO] @@ -15223,12 +15296,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [03] Reversals @@ -15284,52 +15357,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15411,8 +15484,8 @@ LS-scale= 4.781 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -15457,12 +15530,12 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -15518,52 +15591,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15645,8 +15718,8 @@ LS-scale= 4.764 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -15688,15 +15761,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -15752,52 +15825,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15879,8 +15952,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -15921,15 +15994,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -15985,52 +16058,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16112,8 +16185,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -16154,15 +16227,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16218,52 +16291,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -16274,7 +16347,7 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 12 Address 72371 Length 148 Created on + Print list type 12 serial number 12 Address 72570 Length 148 Created on 0 FULL X'S U'S 1 SUMFIX ELEMENT SCALES @@ -16371,8 +16444,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.02E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.02E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.7 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -16422,12 +16495,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.003 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -16483,52 +16556,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16610,8 +16683,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.65E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.65E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.5 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -16657,12 +16730,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.002 [03] Reversals @@ -16718,52 +16791,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16845,8 +16918,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -16890,12 +16963,12 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -16951,52 +17024,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17078,8 +17151,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17123,12 +17196,12 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -17184,52 +17257,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17311,8 +17384,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.61E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.61E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17349,15 +17422,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17413,56 +17486,57 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H #PERHYDRO 5 5 +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H12 C(3) N(2) N(4) H12 C(5) C(6) N(4) @@ -17779,8 +17853,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.50E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.50E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.18 SCALE for 92 parameters @@ -17821,12 +17895,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -17882,52 +17956,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18009,8 +18083,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.70E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.70E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.04 SCALE for 92 parameters @@ -18052,15 +18126,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -18116,52 +18190,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18243,8 +18317,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.78E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.78E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18285,15 +18359,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -18349,52 +18423,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18476,8 +18550,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18518,15 +18592,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18582,52 +18656,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18709,8 +18783,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18747,15 +18821,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18811,52 +18885,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -19119,7 +19193,7 @@ The slope and correlation coefficient should be small List type 11 with serial number 144 is the current version. You may still save this list with DELETE n ACTION=NO #PURGE - List type 11 serial number 144 from 96231 to 100669 will not be copied ( deleted ) + List type 11 serial number 144 from 96452 to 100890 will not be copied ( deleted ) The Data file is being rebuilt - DO NOT abort the program The new disc index has been re-written @@ -19204,8 +19278,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19245,12 +19319,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -19306,52 +19380,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19433,8 +19507,8 @@ LS-scale= 4.637 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19475,15 +19549,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19539,52 +19613,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19666,8 +19740,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19704,15 +19778,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19768,52 +19842,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20050,8 +20124,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20088,15 +20162,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20152,52 +20226,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20280,8 +20354,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20318,15 +20392,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20382,52 +20456,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20510,8 +20584,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20548,15 +20622,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20612,52 +20686,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20740,8 +20814,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20778,15 +20852,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20842,52 +20916,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20970,8 +21044,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21008,15 +21082,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21072,52 +21146,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21200,8 +21274,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21238,15 +21312,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21302,52 +21376,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21525,6 +21599,7 @@ LS-scale= 4.642 Wilson Scale= 4.723 Mean electron density at original atomic sites is 0.00 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -21578,6 +21653,7 @@ LS-scale= 4.642 Wilson Scale= 4.723 Atom Serial S(I) L T(X) T(Y) T(Z) N 4. 1 1 0 0 0 1.320 0.002 + H 31. 1 1 0 0 0 0.966 0.000 Angles about atom C 3. @@ -21586,14 +21662,16 @@ LS-scale= 4.642 Wilson Scale= 4.723 1 N 2. 1 1 0 0 0 [49] 2 N 4. 1 1 0 0 0 109.0 0.1 +[49] 3 H 31. 1 1 0 0 0 125.2 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom N 4. X = 0.332 Y = 0.019 Z = 0.658 Atom Serial S(I) L T(X) T(Y) T(Z) C 5. 1 1 0 0 0 1.367 0.002 + H 1. 1 1 0 0 0 0.934 0.000 Angles about atom N 4. @@ -21602,14 +21680,16 @@ LS-scale= 4.642 Wilson Scale= 4.723 1 C 3. 1 1 0 0 0 [49] 2 C 5. 1 1 0 0 0 108.8 0.1 +[49] 3 H 1. 1 1 0 0 0 124.2 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom C 5. X = 0.492 Y = 0.086 Z = 0.712 Atom Serial S(I) L T(X) T(Y) T(Z) C 6. 1 1 0 0 0 1.351 0.002 + H 51. 1 1 0 0 0 0.963 0.000 Angles about atom C 5. @@ -21618,11 +21698,16 @@ LS-scale= 4.642 Wilson Scale= 4.723 1 N 4. 1 1 0 0 0 [49] 2 C 6. 1 1 0 0 0 107.1 0.1 +[49] 3 H 51. 1 1 0 0 0 126.8 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom C 6. X = 0.468 Y = 0.147 Z = 0.805 + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 61. 1 1 0 0 0 0.959 0.000 + Angles about atom C 6. @@ -21630,8 +21715,69 @@ LS-scale= 4.642 Wilson Scale= 4.723 1 N 2. 1 1 0 0 0 [49] 2 C 5. 1 1 0 0 0 106.8 0.1 +[49] 3 H 61. 1 1 0 0 0 125.8 0.1 + + KEY 1 2 + +[21] Distances about atom C 7. X = 0.191 Y = 0.312 Z = 0.879 + + Atom Serial S(I) L T(X) T(Y) T(Z) - KEY 1 + H 71. 1 1 0 0 0 0.956 0.000 + H 72. 1 1 0 0 0 0.962 0.000 + H 73. 1 1 0 0 0 0.951 0.000 + + + Angles about atom C 7. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 71. 1 1 0 0 0 110.5 0.1 +[49] 3 H 72. 1 1 0 0 0 109.9 0.1 +[49] 4 H 73. 1 1 0 0 0 111.0 0.1 + + KEY 1 2 3 + +[21] Distances about atom C 8. X = 0.323 Y = 0.127 Z = 1.015 + + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 81. 1 1 0 0 0 0.953 0.000 + H 82. 1 1 0 0 0 0.964 0.000 + H 83. 1 1 0 0 0 0.948 0.000 + + + Angles about atom C 8. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 81. 1 1 0 0 0 110.4 0.1 +[49] 3 H 82. 1 1 0 0 0 109.5 0.1 +[49] 4 H 83. 1 1 0 0 0 110.7 0.1 + + KEY 1 2 3 + +[21] Distances about atom C 9. X = 0.011 Y = 0.105 Z = 0.866 + + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 91. 1 1 0 0 0 0.959 0.000 + H 92. 1 1 0 0 0 0.973 0.000 + H 93. 1 1 0 0 0 0.944 0.000 + + + Angles about atom C 9. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 91. 1 1 0 0 0 110.8 0.1 +[49] 3 H 92. 1 1 0 0 0 109.9 0.1 +[49] 4 H 93. 1 1 0 0 0 111.8 0.1 + + KEY 1 2 3 # # THIRD EXPERIMENT. FSQ, ANOM #LIST 23 @@ -21815,8 +21961,8 @@ LS-scale= 4.646 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.30E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.30E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.0E+00 0.989E-02 1.01 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 2 @@ -21859,12 +22005,12 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.017 +[31] 0.021 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.028 0.036 +[31] 0.043 0.028 0.036 [03] Reversals @@ -21920,52 +22066,52 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.011 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22047,8 +22193,8 @@ LS-scale= 4.647 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.49 SCALE S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 1 S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 2 @@ -22095,12 +22241,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -22156,52 +22302,52 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22283,8 +22429,8 @@ LS-scale= 4.649 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.53 SCALE for 32 parameters @@ -22329,12 +22475,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -22390,52 +22536,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22517,8 +22663,8 @@ LS-scale= 4.650 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.52 SCALE for 32 parameters @@ -22563,12 +22709,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -22624,52 +22770,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22751,8 +22897,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.50 SCALE for 32 parameters @@ -22794,15 +22940,15 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -22858,52 +23004,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -23010,8 +23156,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 2. @@ -23051,12 +23197,12 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -23112,52 +23258,52 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23239,8 +23385,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.20E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.20E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23281,15 +23427,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -23345,52 +23491,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23472,8 +23618,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23514,15 +23660,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23578,52 +23724,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23705,8 +23851,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23747,15 +23893,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23811,52 +23957,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23938,8 +24084,8 @@ LS-scale= 4.656 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23980,15 +24126,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -24044,52 +24190,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -24197,8 +24343,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.66E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.020 0.0E+00 0.21 E-02 -9.5 C 9 U[ISO] for 47 parameters @@ -24239,12 +24385,12 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.002 [70] Maximum 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.011 0.007 0.006 [03] Reversals @@ -24300,52 +24446,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 -0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24427,8 +24573,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24469,15 +24615,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.004 0.004 0.002 [03] Reversals @@ -24533,52 +24679,52 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24660,8 +24806,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.08E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.08E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24702,15 +24848,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -24766,52 +24912,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24893,8 +25039,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24935,15 +25081,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -24999,52 +25145,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25126,8 +25272,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25168,15 +25314,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25232,52 +25378,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -25385,8 +25531,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.28 E-02 9.1 C 7 U[11] [14] S/ESD 60 60 -0.014 0.0E+00 0.28 E-02 -5.2 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -25437,12 +25583,12 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.006 0.003 +[31] 0.004 0.006 0.004 [03] Reversals @@ -25498,52 +25644,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25625,8 +25771,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.91E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.91E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 4.8 C 7 U[11] [14] S/ESD 78 78 0.015 0.4E+00 0.31 E-02 4.7 C 9 U[22] @@ -25672,12 +25818,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -25733,52 +25879,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25860,8 +26006,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.64E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.64E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -25905,12 +26051,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -25966,52 +26112,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26093,8 +26239,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.87E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.87E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26138,12 +26284,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -26199,52 +26345,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26326,8 +26472,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.92E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.92E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26368,15 +26514,15 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -26432,56 +26578,57 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H #PERHYDRO 5 5 +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H12 C(3) N(2) N(4) H12 C(5) C(6) N(4) @@ -26798,8 +26945,8 @@ LS-scale= 4.660 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.94E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.94E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 2. @@ -26839,12 +26986,12 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.015 +[31] 0.017 0.024 0.015 [03] Reversals @@ -26900,52 +27047,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27027,8 +27174,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.15 SCALE for 92 parameters @@ -27073,12 +27220,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -27134,52 +27281,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27261,8 +27408,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.11 SCALE for 92 parameters @@ -27304,15 +27451,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27368,52 +27515,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27495,8 +27642,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.957E-02 -1.07 SCALE for 92 parameters @@ -27538,15 +27685,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27602,52 +27749,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27729,8 +27876,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.956E-02 -1.04 SCALE for 92 parameters @@ -27772,15 +27919,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27836,52 +27983,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -28148,7 +28295,7 @@ The slope and correlation coefficient should be small List type 11 with serial number 136 is the current version. You may still save this list with DELETE n ACTION=NO #PURGE - List type 11 serial number 136 from 95233 to 99671 will not be copied ( deleted ) + List type 11 serial number 136 from 95454 to 99892 will not be copied ( deleted ) The Data file is being rebuilt - DO NOT abort the program The new disc index has been re-written @@ -28233,8 +28380,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.21E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.21E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28274,12 +28421,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -28335,52 +28482,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28462,8 +28609,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.03E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.03E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28504,15 +28651,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28568,52 +28715,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28695,8 +28842,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28737,15 +28884,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28801,52 +28948,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28928,8 +29075,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28970,15 +29117,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29034,52 +29181,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29161,8 +29308,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29203,15 +29350,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29267,52 +29414,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29549,8 +29696,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29587,15 +29734,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29651,52 +29798,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29779,8 +29926,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29817,15 +29964,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29881,52 +30028,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30009,8 +30156,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30047,15 +30194,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30111,52 +30258,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30239,8 +30386,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30277,15 +30424,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30341,52 +30488,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30469,8 +30616,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30507,15 +30654,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30571,52 +30718,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30699,8 +30846,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30737,15 +30884,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30801,52 +30948,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -31025,6 +31172,7 @@ LS-scale= 4.651 Wilson Scale= 4.723 Mean electron density at original atomic sites is -0.01 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -31078,6 +31226,7 @@ LS-scale= 4.651 Wilson Scale= 4.723 Atom Serial S(I) L T(X) T(Y) T(Z) N 4. 1 1 0 0 0 1.321 0.002 + H 31. 1 1 0 0 0 0.963 0.000 Angles about atom C 3. @@ -31086,14 +31235,16 @@ LS-scale= 4.651 Wilson Scale= 4.723 1 N 2. 1 1 0 0 0 [49] 2 N 4. 1 1 0 0 0 109.0 0.1 +[49] 3 H 31. 1 1 0 0 0 125.0 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom N 4. X = 0.332 Y = 0.019 Z = 0.658 Atom Serial S(I) L T(X) T(Y) T(Z) C 5. 1 1 0 0 0 1.367 0.002 + H 1. 1 1 0 0 0 0.918 0.000 Angles about atom N 4. @@ -31102,14 +31253,16 @@ LS-scale= 4.651 Wilson Scale= 4.723 1 C 3. 1 1 0 0 0 [49] 2 C 5. 1 1 0 0 0 108.8 0.1 +[49] 3 H 1. 1 1 0 0 0 124.9 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom C 5. X = 0.492 Y = 0.086 Z = 0.712 Atom Serial S(I) L T(X) T(Y) T(Z) C 6. 1 1 0 0 0 1.351 0.002 + H 51. 1 1 0 0 0 0.961 0.000 Angles about atom C 5. @@ -31118,11 +31271,16 @@ LS-scale= 4.651 Wilson Scale= 4.723 1 N 4. 1 1 0 0 0 [49] 2 C 6. 1 1 0 0 0 107.2 0.1 +[49] 3 H 51. 1 1 0 0 0 126.8 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom C 6. X = 0.468 Y = 0.147 Z = 0.805 + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 61. 1 1 0 0 0 0.957 0.000 + Angles about atom C 6. @@ -31130,8 +31288,69 @@ LS-scale= 4.651 Wilson Scale= 4.723 1 N 2. 1 1 0 0 0 [49] 2 C 5. 1 1 0 0 0 106.9 0.1 +[49] 3 H 61. 1 1 0 0 0 125.8 0.1 + + KEY 1 2 + +[21] Distances about atom C 7. X = 0.191 Y = 0.312 Z = 0.879 + + Atom Serial S(I) L T(X) T(Y) T(Z) - KEY 1 + H 71. 1 1 0 0 0 0.955 0.000 + H 72. 1 1 0 0 0 0.963 0.000 + H 73. 1 1 0 0 0 0.950 0.000 + + + Angles about atom C 7. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 71. 1 1 0 0 0 110.5 0.1 +[49] 3 H 72. 1 1 0 0 0 109.8 0.1 +[49] 4 H 73. 1 1 0 0 0 111.0 0.1 + + KEY 1 2 3 + +[21] Distances about atom C 8. X = 0.323 Y = 0.128 Z = 1.015 + + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 81. 1 1 0 0 0 0.956 0.000 + H 82. 1 1 0 0 0 0.960 0.000 + H 83. 1 1 0 0 0 0.949 0.000 + + + Angles about atom C 8. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 81. 1 1 0 0 0 110.3 0.1 +[49] 3 H 82. 1 1 0 0 0 109.8 0.1 +[49] 4 H 83. 1 1 0 0 0 110.7 0.1 + + KEY 1 2 3 + +[21] Distances about atom C 9. X = 0.011 Y = 0.105 Z = 0.866 + + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 91. 1 1 0 0 0 0.955 0.000 + H 92. 1 1 0 0 0 0.972 0.000 + H 93. 1 1 0 0 0 0.950 0.000 + + + Angles about atom C 9. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 91. 1 1 0 0 0 111.1 0.1 +[49] 3 H 92. 1 1 0 0 0 110.0 0.1 +[49] 4 H 93. 1 1 0 0 0 111.5 0.1 + + KEY 1 2 3 # # FOURTH EXPERIMENT. NOFSQ, ANOM #LIST 23 @@ -31315,8 +31534,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.09E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.11 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -31359,12 +31578,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -31420,52 +31639,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31547,8 +31766,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.89E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.60 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 2 @@ -31595,12 +31814,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.008 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.004 +[31] 0.018 0.004 0.005 [03] Reversals @@ -31656,52 +31875,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31783,8 +32002,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.86E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.86E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.65 SCALE for 32 parameters @@ -31829,12 +32048,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -31890,52 +32109,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32017,8 +32236,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.43 SCALE for 32 parameters @@ -32063,12 +32282,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -32124,52 +32343,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32251,8 +32470,8 @@ LS-scale= 4.842 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -32293,15 +32512,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -32357,52 +32576,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -32509,8 +32728,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.07 SCALE for 33 parameters @@ -32548,15 +32767,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32612,52 +32831,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32739,8 +32958,8 @@ LS-scale= 4.830 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.48E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.48E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.50 SCALE for 33 parameters @@ -32782,15 +33001,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -32846,52 +33065,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32973,8 +33192,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33015,15 +33234,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33079,52 +33298,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33206,8 +33425,8 @@ LS-scale= 4.809 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33248,15 +33467,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33312,52 +33531,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33439,8 +33658,8 @@ LS-scale= 4.803 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33481,15 +33700,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33545,52 +33764,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -33698,8 +33917,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.5 C 9 U[ISO] @@ -33741,12 +33960,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.004 0.005 +[31] 0.010 0.005 0.005 [03] Reversals @@ -33802,52 +34021,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33929,8 +34148,8 @@ LS-scale= 4.780 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -33972,15 +34191,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.001 +[31] 0.004 0.003 0.001 [03] Reversals @@ -34036,52 +34255,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34163,8 +34382,8 @@ LS-scale= 4.763 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -34206,15 +34425,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -34270,52 +34489,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34397,8 +34616,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34439,15 +34658,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -34503,52 +34722,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34630,8 +34849,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34672,15 +34891,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -34736,52 +34955,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -34889,8 +35108,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.03E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.03E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.6 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -34940,12 +35159,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.004 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -35001,52 +35220,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35128,8 +35347,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.66E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.66E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.4 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -35175,12 +35394,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.003 [03] Reversals @@ -35236,52 +35455,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35363,8 +35582,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35405,15 +35624,15 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.002 0.002 0.001 [03] Reversals @@ -35469,52 +35688,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35596,8 +35815,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35638,15 +35857,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -35702,52 +35921,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35829,8 +36048,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.62E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.62E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35867,15 +36086,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -35931,56 +36150,57 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H #PERHYDRO 5 5 +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H12 C(3) N(2) N(4) H12 C(5) C(6) N(4) @@ -36297,8 +36517,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.51E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 9E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.16 SCALE for 92 parameters @@ -36339,12 +36559,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -36400,52 +36620,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36527,8 +36747,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.71E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.71E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.03 SCALE for 92 parameters @@ -36570,15 +36790,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -36634,52 +36854,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36761,8 +36981,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -36803,15 +37023,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -36867,52 +37087,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36994,8 +37214,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37036,15 +37256,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37100,52 +37320,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37227,8 +37447,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37265,15 +37485,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37329,52 +37549,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -37637,7 +37857,7 @@ The slope and correlation coefficient should be small List type 11 with serial number 144 is the current version. You may still save this list with DELETE n ACTION=NO #PURGE - List type 11 serial number 144 from 96231 to 100669 will not be copied ( deleted ) + List type 11 serial number 144 from 96452 to 100890 will not be copied ( deleted ) The Data file is being rebuilt - DO NOT abort the program The new disc index has been re-written @@ -37722,8 +37942,8 @@ LS-scale= 4.629 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -37763,12 +37983,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -37824,52 +38044,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37951,8 +38171,8 @@ LS-scale= 4.636 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -37993,15 +38213,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38057,52 +38277,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38184,8 +38404,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38222,15 +38442,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38286,52 +38506,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -38568,8 +38788,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38606,15 +38826,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38670,52 +38890,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -38798,8 +39018,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38836,15 +39056,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38900,52 +39120,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39028,8 +39248,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39066,15 +39286,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39130,52 +39350,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39258,8 +39478,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39296,15 +39516,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39360,52 +39580,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39488,8 +39708,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39526,15 +39746,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39590,52 +39810,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39718,8 +39938,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39756,15 +39976,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39820,52 +40040,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -40044,6 +40264,7 @@ LS-scale= 4.642 Wilson Scale= 4.723 Mean electron density at original atomic sites is 0.00 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -40097,6 +40318,7 @@ LS-scale= 4.642 Wilson Scale= 4.723 Atom Serial S(I) L T(X) T(Y) T(Z) N 4. 1 1 0 0 0 1.320 0.002 + H 31. 1 1 0 0 0 0.966 0.000 Angles about atom C 3. @@ -40105,14 +40327,16 @@ LS-scale= 4.642 Wilson Scale= 4.723 1 N 2. 1 1 0 0 0 [49] 2 N 4. 1 1 0 0 0 109.0 0.1 +[49] 3 H 31. 1 1 0 0 0 125.2 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom N 4. X = 0.332 Y = 0.019 Z = 0.658 Atom Serial S(I) L T(X) T(Y) T(Z) C 5. 1 1 0 0 0 1.367 0.002 + H 1. 1 1 0 0 0 0.937 0.000 Angles about atom N 4. @@ -40121,14 +40345,16 @@ LS-scale= 4.642 Wilson Scale= 4.723 1 C 3. 1 1 0 0 0 [49] 2 C 5. 1 1 0 0 0 108.8 0.1 +[49] 3 H 1. 1 1 0 0 0 124.4 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom C 5. X = 0.492 Y = 0.086 Z = 0.712 Atom Serial S(I) L T(X) T(Y) T(Z) C 6. 1 1 0 0 0 1.351 0.002 + H 51. 1 1 0 0 0 0.963 0.000 Angles about atom C 5. @@ -40137,11 +40363,16 @@ LS-scale= 4.642 Wilson Scale= 4.723 1 N 4. 1 1 0 0 0 [49] 2 C 6. 1 1 0 0 0 107.1 0.1 +[49] 3 H 51. 1 1 0 0 0 126.8 0.1 - KEY 1 + KEY 1 2 [21] Distances about atom C 6. X = 0.468 Y = 0.147 Z = 0.805 + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 61. 1 1 0 0 0 0.959 0.000 + Angles about atom C 6. @@ -40149,8 +40380,69 @@ LS-scale= 4.642 Wilson Scale= 4.723 1 N 2. 1 1 0 0 0 [49] 2 C 5. 1 1 0 0 0 106.8 0.1 +[49] 3 H 61. 1 1 0 0 0 125.8 0.1 + + KEY 1 2 + +[21] Distances about atom C 7. X = 0.191 Y = 0.312 Z = 0.879 + + Atom Serial S(I) L T(X) T(Y) T(Z) - KEY 1 + H 71. 1 1 0 0 0 0.956 0.000 + H 72. 1 1 0 0 0 0.962 0.000 + H 73. 1 1 0 0 0 0.951 0.000 + + + Angles about atom C 7. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 71. 1 1 0 0 0 110.5 0.1 +[49] 3 H 72. 1 1 0 0 0 109.9 0.1 +[49] 4 H 73. 1 1 0 0 0 111.0 0.1 + + KEY 1 2 3 + +[21] Distances about atom C 8. X = 0.323 Y = 0.127 Z = 1.015 + + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 81. 1 1 0 0 0 0.953 0.000 + H 82. 1 1 0 0 0 0.963 0.000 + H 83. 1 1 0 0 0 0.948 0.000 + + + Angles about atom C 8. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 81. 1 1 0 0 0 110.4 0.1 +[49] 3 H 82. 1 1 0 0 0 109.5 0.1 +[49] 4 H 83. 1 1 0 0 0 110.7 0.1 + + KEY 1 2 3 + +[21] Distances about atom C 9. X = 0.011 Y = 0.105 Z = 0.866 + + Atom Serial S(I) L T(X) T(Y) T(Z) + + H 91. 1 1 0 0 0 0.958 0.000 + H 92. 1 1 0 0 0 0.973 0.000 + H 93. 1 1 0 0 0 0.945 0.000 + + + Angles about atom C 9. + + KEY Atom Serial S(I) L T(X) T(Y) T(Z) + + 1 C 1. 1 1 0 0 0 +[49] 2 H 91. 1 1 0 0 0 110.8 0.1 +[49] 3 H 92. 1 1 0 0 0 109.9 0.1 +[49] 4 H 93. 1 1 0 0 0 111.8 0.1 + + KEY 1 2 3 # #END diff --git a/test_suite/LINUXGH.org/test3.out b/test_suite/LINUXGH.org/test3.out index 050b8692b..8cc70801d 100644 --- a/test_suite/LINUXGH.org/test3.out +++ b/test_suite/LINUXGH.org/test3.out @@ -4752,9 +4752,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.86 -2.28 1.2 0.03 -0.00 0.01 0.01 0.05 -0.04 -[35] -2.28 12.59 0.4 -0.00 0.05 -0.00 -0.03 -0.05 0.07 -[35] 1.25 0.48 1.5 0.01 -0.00 0.06 -0.01 0.02 0.03 +[35] -0.87 -2.29 1.25 0.04 -0.01 0.01 0.02 0.05 -0.05 +[35] -2.29 12.60 0.48 -0.01 0.06 -0.00 -0.03 -0.06 0.07 +[35] 1.25 0.48 1.57 0.01 -0.00 0.06 -0.01 0.02 0.04 @@ -4779,9 +4779,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.03 0.02 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 -0.03 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 -0.07 -0.06 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.03 0.03 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.01 0.02 -0.04 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 -0.07 -0.06 -0.06 @@ -4800,9 +4800,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.00 0.00 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 0.00 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 0.00 0.00 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.00 0.00 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.00 0.02 0.00 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 0.00 0.00 -0.06 @@ -4913,9 +4913,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 16.80 -4.91 -7.3 0.03 -0.00 -0.00 -0.12 -0.07 0.28 -[35] -4.91 69.40 21.5 -0.00 0.03 0.00 0.44 0.07 -0.26 -[35] -7.37 21.55 66.2 -0.00 0.00 0.05 -0.03 0.08 0.05 +[35] 16.80 -4.92 -7.38 0.03 -0.00 -0.01 -0.12 -0.08 0.29 +[35] -4.92 69.40 21.55 -0.00 0.04 0.00 0.44 0.07 -0.27 +[35] -7.38 21.55 66.20 -0.01 0.00 0.05 -0.04 0.09 0.05 @@ -4940,9 +4940,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.25 -0.15 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 -0.29 0.15 -0.19 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 -0.28 0.24 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.01 -0.07 0.26 -0.16 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 -0.29 0.15 -0.19 +[35] 0.00 0.00 90.43 0.01 -0.01 0.05 -0.28 0.24 -0.08 @@ -4961,9 +4961,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.00 0.00 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 0.00 0.15 0.00 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 0.00 0.00 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.00 -0.07 0.00 0.00 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 0.00 0.15 0.00 +[35] 0.00 0.00 90.43 0.00 -0.01 0.05 0.00 0.00 -0.08 @@ -5327,8 +5327,8 @@ AZIMUTH = -73.48 AZIMUTH /100 = -0.7348 Transformation to crystal fractions w.r.t. centroid from best plane co-ordinates in angstrom and fractions -[31] -0.015 -0.115 -0.067 -[31] -0.111 -0.037 -0.026 +[31] -0.015 -0.116 -0.067 +[31] -0.111 -0.038 -0.026 [85] 0.00 0.03 -0.04 0.03 0.50 -0.87 @@ -5471,7 +5471,7 @@ AZIMUTH = -52.16 AZIMUTH /100 = -0.5216 [85] -0.05 0.12 -0.02 -0.46 1.03 -0.18 [85] 0.07 0.09 -0.03 0.69 0.88 -0.24 -[31] -0.004 -0.010 -0.049 +[31] -0.004 -0.010 -0.049 @@ -5544,7 +5544,7 @@ AZIMUTH = 44.42 AZIMUTH /100 = 0.4442 [85] -0.05 0.12 -0.01 -0.46 1.04 -0.09 [85] 0.07 0.09 -0.02 0.69 0.90 -0.17 -[31] -0.004 -0.006 -0.049 +[31] -0.004 -0.006 -0.050 @@ -5849,8 +5849,8 @@ LS-scale= 12.394 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.44E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4.44E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4E-05 S/ESD 1 1 -1.155 0.0E+00 0.628E+00 -1.84 SCALE [14a] LARGE 2 2 -0.192 0.0E+00 0.70 E-01 -2.7 SI 1 U[11] Composite @@ -5925,15 +5925,15 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [38] Mean -0.60 0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.07 -0.00 -0.00 -0.02 -[31] 0.053 0.014 0.027 +[31] 0.054 0.014 0.027 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.08 0.02 0.11 0.00 0.01 0.03 -[31] 0.067 0.019 0.046 +[31] 0.068 0.019 0.047 [70] Maximum 1. 0.00 0.00 0.01 0.00 0.01 0.19 0.03 0.26 0.01 0.01 0.06 -[31] 0.126 0.025 0.085 +[31] 0.127 0.026 0.086 [03] Reversals @@ -5989,37 +5989,37 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [37] SI 1. 0.16 0.00 0.00 0.00 0.00 -0.17 [37] 0.00 0.00 0.00 0.00 -0.19 -0.19 -0.26 0.00 0.00 -0.09 [37] 0.00 0.00 0.00 0.00 0.07 0.07 0.13 0.00 0.00 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 0.33 0.00 0.33 0.66 0.51 -0.04 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.11 0.00 0.00 -0.02 [37] 0.00 0.00 0.00 0.02 0.02 0.02 0.04 0.00 0.00 0.01 -[31] 0.000 0.000 0.107 +[31] 0.000 0.000 0.107 [37] NA 1. 0.50 0.00 0.39 0.39 0.00 0.00 [37] 0.00 0.01 0.01 0.00 -0.02 -0.02 -0.06 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.03 -[31] 0.074 0.074 0.000 +[31] 0.075 0.075 0.000 [37] NA 2. 0.50 0.00 0.71 0.71 0.50 -0.03 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.10 0.00 0.00 -0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.071 0.071 0.000 +[31] 0.071 0.071 0.000 [37] F 1. 1.00 0.00 0.09 -0.09 0.80 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.03 0.03 0.01 -[31] 0.069 0.068 0.040 +[31] 0.069 0.068 0.040 [37] F 2. 1.00 0.00 0.44 -0.39 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.01 0.02 -[31] 0.045 0.050 0.039 +[31] 0.046 0.050 0.040 [37] F 3. 1.00 0.00 0.23 -0.25 0.32 0.01 [37] 0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.02 0.02 -[31] 0.055 0.058 0.041 +[31] 0.056 0.059 0.042 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [37] SI 1. -0.23 -0.17 -0.17 -0.19 -0.19 -0.12 @@ -6107,6 +6107,7 @@ LS-scale= 11.239 Wilson Scale= 0.000 #DISTANCES #LIST 31 #DISTANCES +Bonds: Update required - List5 length change SODIUM COMPOUND TAKEN FROM THE LITERATURE - SPACE GROUP IS P321 ! Date Time @@ -6549,7 +6550,7 @@ The slope and correlation coefficient should be small P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 6 serial number 86 Address 82650 Length 7571 Created on + Print list type 6 serial number 86 Address 83491 Length 7571 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -6684,7 +6685,7 @@ The slope and correlation coefficient should be small P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 6 serial number 90 Address 90843 Length 7571 Created on + Print list type 6 serial number 90 Address 91684 Length 7571 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -6819,7 +6820,7 @@ The slope and correlation coefficient should be small P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 5 serial number 14 Address 98414 Length 137 Created on + Print list type 5 serial number 14 Address 99255 Length 137 Created on @@ -7183,21 +7184,21 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1E-06 S/ESD 1 1 0.029 0.0E+00 0.189E-01 1.52 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.4 E-02 1.4 DU[ISO] Inversion method: Automatic -Block No 2. Single precision relative error: 1.72E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.72E-07 +[80a] Block No 2. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 2 Inversion method: Automatic -Block No 3. Single precision relative error: 1.68E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.68E-07 +[80a] Block No 3. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 3 Inversion method: Automatic -Block No 4. Single precision relative error: 1.47E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.47E-07 +[80a] Block No 4. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 Block 4 [14] S/ESD 11 1 -0.022 0.0E+00 0.36 E-02 -6.3 C 1 X [14] S/ESD 13 3 0.017 0.0E+00 0.40 E-02 4.2 C 1 Z @@ -7241,12 +7242,12 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [89] -0.05 -0.03 0.00 [71] R.M.S. 0. 0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.052 0.067 +[31] 0.123 0.052 0.067 [70] Maximum 0. 0.00 0.02 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.197 0.071 0.103 +[31] 0.197 0.071 0.103 [03] Reversals @@ -7293,17 +7294,17 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [37] S 1. 1.00 1.00 0.16 0.02 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.007 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.015 +[31] 0.019 0.018 0.015 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.03 [73] 0.00 -0.01 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.029 0.024 +[31] 0.031 0.029 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -7418,12 +7419,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.015 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.021 0.019 +[31] 0.030 0.021 0.020 [03] Reversals @@ -7470,17 +7471,17 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] S 1. 1.00 1.00 0.16 0.02 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.009 +[31] 0.012 0.012 0.010 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.018 0.015 +[31] 0.020 0.019 0.016 [84] Mean C-C su = 0.01 #CYCLENDS #PRINT 6 @@ -7489,7 +7490,7 @@ Inter cycle Rw -5.0 5.2 0.10E+03 P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 6 serial number 96 Address 90843 Length 7571 Created on + Print list type 6 serial number 96 Address 91684 Length 7571 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -7726,8 +7727,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.23E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.23E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -7764,15 +7765,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.001 0.003 0.000 +[31] 0.001 0.003 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.000 +[31] 0.002 0.005 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.007 0.001 +[31] 0.003 0.007 0.001 [03] Reversals @@ -7817,22 +7818,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] B 2. 1.00 0.00 -0.18 -0.11 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 5 @@ -7962,8 +7963,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.09E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.09E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -8000,15 +8001,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.004 0.002 0.001 [03] Reversals @@ -8053,22 +8054,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.005 [37] B 2. 1.00 0.00 -0.18 -0.12 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.003 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK @@ -8106,7 +8107,7 @@ ___________ HEXACHLOROBORAZINE - LIST INPUT Date Time - Print list type 11 serial number 20 Address 125702 Length 809 Created on + Print list type 11 serial number 20 Address 126543 Length 809 Created on Inverse matrix @@ -8157,7 +8158,7 @@ ___________ HEXACHLOROBORAZINE - LIST INPUT Date Time - Print list type 11 serial number 20 Address 125702 Length 809 Created on + Print list type 11 serial number 20 Address 126543 Length 809 Created on Print List 11 as correlation matrix @@ -8248,7 +8249,7 @@ ___________ HEXACHLOROBORAZINE - LIST INPUT Date Time - Print list type 11 serial number 20 Address 125702 Length 809 Created on + Print list type 11 serial number 20 Address 126543 Length 809 Created on Inverse matrix @@ -8437,7 +8438,7 @@ ___________ P6122 TEST DECK FROM LARSON - MUCH MODIFIED FOR CRYSTALS Date Time - Print list type 5 serial number 30 Address 130914 Length 150 Created on + Print list type 5 serial number 30 Address 131725 Length 150 Created on @@ -8616,7 +8617,7 @@ LS-scale= 1.000 Wilson Scale= 0.000 P6122 TEST DECK FROM LARSON - MUCH MODIFIED FOR CRYSTALS Date Time - Print list type 6 serial number 118 Address 130203 Length 711 Created on + Print list type 6 serial number 118 Address 131014 Length 711 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -8833,124 +8834,14 @@ LS-scale= 1.000 Wilson Scale= 0.000 4 * -4 -8 -9 -7 -4 -1 5 * -9 -7 -1 4 5 3 -# TRIAL ALMOST CERTAINLY DOES NOT WORK -#TRIAL - - - - Structure factors end after 12 reflection(s) - - - - Scale factor 0.184E-01 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 0 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 1 * 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 2 * 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 3 * 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 4 * 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 5 * 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 - - 6 * 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 169 - - 7 * 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 169 169 - - 8 * 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 169 169 169 169 - - 9 * 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 169 169 169 169 169 - - 10 * 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 169 169 169 169 169 169 169 - - 11 * 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 169 169 169 169 169 169 169 169 - - 12 * 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 169 169 169 169 169 169 169 169 169 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 1 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 - - 1 * 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 - - 2 * 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 - - 3 * 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 4 * 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 5 * 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 6 * 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 7 * 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 8 * 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 9 * 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 - - 10 * 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 - - 11 * 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 169 - - 12 * 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 169 169 169 169 169 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 2 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 172 172 172 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 - - 1 * 172 172 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 - - 2 * 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 - - 3 * 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 - - 4 * 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 - - 5 * 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 - - 6 * 171 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 - - 7 * 171 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 - - 8 * 171 171 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 9 * 171 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 10 * 171 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 11 * 171 171 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 - - 12 * 171 171 171 171 171 171 171 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 170 +# \ TRIAL ALMOST CERTAINLY DOES NOT WORK +# \TRIAL +# MAP /FO/-MIN= 45 +# DISPLACEMENT .1 -.2 .3 +# DOWN 13 0 .02 0 +# ACROSS 26 .02 0 0 +# THROUGH 3 0 0 -.1 +# END #END diff --git a/test_suite/LINUXGH.org/tls.out b/test_suite/LINUXGH.org/tls.out index 4ff3adfe1..e6759751b 100644 --- a/test_suite/LINUXGH.org/tls.out +++ b/test_suite/LINUXGH.org/tls.out @@ -471,8 +471,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -513,12 +513,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -563,57 +563,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -695,8 +695,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -740,12 +740,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -790,57 +790,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -922,8 +922,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -967,12 +967,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -1017,57 +1017,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1162,8 +1162,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -1205,12 +1205,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -1255,57 +1255,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1387,8 +1387,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1432,12 +1432,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -1482,57 +1482,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1614,8 +1614,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1659,12 +1659,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -1709,57 +1709,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1841,8 +1841,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1879,15 +1879,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1932,57 +1932,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2079,8 +2079,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -2134,15 +2134,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2187,57 +2187,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2319,8 +2319,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -2365,15 +2365,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2418,57 +2418,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2701,6 +2701,7 @@ LS-scale= 1.687 Wilson Scale= 0.000 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2970,8 +2971,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -3010,15 +3011,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -3063,57 +3064,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3195,8 +3196,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3237,15 +3238,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -3290,57 +3291,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3422,8 +3423,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3467,12 +3468,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -3517,57 +3518,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -3662,8 +3663,8 @@ LS-scale= 1.591 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.25E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 32 32 0.029 0.0E+00 0.42 E-02 6.9 C 4 U[11] [14] S/ESD 33 33 -0.017 0.0E+00 0.38 E-02 -4.5 C 4 U[22] [14] S/ESD 37 37 0.011 0.0E+00 0.40 E-02 2.7 C 4 U[12] @@ -3708,12 +3709,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.00 0.00 0.01 -[31] 0.004 0.003 0.007 +[31] 0.004 0.003 0.007 [03] Reversals @@ -3758,57 +3759,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.006 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3891,8 +3892,8 @@ LS-scale= 1.583 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.29E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.29E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -3932,12 +3933,12 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [03] Reversals @@ -3982,57 +3983,57 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.005 0.006 +[31] 0.009 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4115,8 +4116,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4153,15 +4154,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4206,57 +4207,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4339,8 +4340,8 @@ LS-scale= 1.586 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4377,15 +4378,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4430,57 +4431,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #ANISO @@ -4504,9 +4505,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 14.35 -20.88 7.8 0.03 -0.00 0.00 -0.02 0.09 0.02 -[35] -20.88 55.18 -12.7 -0.00 0.03 -0.00 -0.29 0.08 -0.12 -[35] 7.83 -12.75 22.1 0.00 -0.00 0.03 -0.16 0.07 -0.06 +[35] 14.35 -20.89 7.84 0.03 -0.00 0.00 -0.03 0.10 0.03 +[35] -20.89 55.19 -12.75 -0.00 0.03 -0.00 -0.30 0.09 -0.12 +[35] 7.84 -12.75 22.13 0.00 -0.00 0.03 -0.16 0.07 -0.06 @@ -4531,9 +4532,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.03 0.00 0.00 -0.05 -0.02 0.13 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.18 -0.06 -0.21 -[35] 0.00 0.00 68.6 0.00 0.00 0.03 -0.16 0.09 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 -0.03 0.13 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.18 -0.07 -0.22 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 -0.16 0.10 0.12 @@ -4552,9 +4553,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.00 -0.06 0.00 -[35] 0.00 0.00 68.6 0.00 0.00 0.02 0.00 0.00 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 0.00 0.00 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.00 -0.07 0.00 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 0.00 0.00 0.12 @@ -4598,7 +4599,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 3 Address 82165 Length 234 Created on + Print list type 20 serial number 3 Address 82589 Length 234 Created on @@ -4739,9 +4740,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.96 0.39 -3.9 0.02 0.00 -0.00 0.00 -0.00 -0.15 -[35] 0.39 11.22 5.8 0.00 0.03 0.00 0.07 0.10 -0.10 -[35] -3.92 5.88 19.0 -0.00 0.00 0.03 0.14 0.39 -0.10 +[35] 4.97 0.39 -3.92 0.02 0.00 -0.00 0.00 -0.01 -0.15 +[35] 0.39 11.22 5.88 0.00 0.03 0.00 0.08 0.11 -0.11 +[35] -3.92 5.88 19.07 -0.00 0.00 0.03 0.14 0.40 -0.11 @@ -4766,9 +4767,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 -0.00 0.00 -0.05 0.13 -0.08 -[35] 0.00 9.05 0.0 -0.00 0.03 -0.00 -0.00 0.00 -0.12 -[35] 0.00 0.00 22.8 0.00 -0.00 0.03 -0.01 0.44 0.04 +[35] 3.37 0.00 0.00 0.02 -0.00 0.00 -0.05 0.14 -0.09 +[35] 0.00 9.06 0.00 -0.00 0.03 -0.00 -0.01 0.01 -0.13 +[35] 0.00 0.00 22.83 0.00 -0.00 0.03 -0.01 0.44 0.04 @@ -4787,9 +4788,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 9.05 0.0 0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 22.8 0.00 0.00 0.02 0.00 0.00 0.04 +[35] 3.37 0.00 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 +[35] 0.00 9.06 0.00 0.00 0.02 0.00 0.00 0.01 0.00 +[35] 0.00 0.00 22.83 0.00 0.00 0.03 0.00 0.00 0.04 @@ -4830,7 +4831,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 4 Address 82399 Length 234 Created on + Print list type 20 serial number 4 Address 82823 Length 234 Created on @@ -4971,9 +4972,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.47 0.60 -1.2 0.02 0.00 0.00 0.02 0.06 -0.08 -[35] 0.60 11.29 6.5 0.00 0.02 -0.00 -0.05 0.01 -0.03 -[35] -1.29 6.59 15.0 0.00 -0.00 0.03 0.02 0.18 -0.04 +[35] 4.48 0.61 -1.30 0.02 0.00 0.00 0.02 0.06 -0.08 +[35] 0.61 11.30 6.60 0.00 0.03 -0.00 -0.06 0.02 -0.03 +[35] -1.30 6.60 15.03 0.00 -0.00 0.03 0.02 0.18 -0.04 @@ -4998,9 +4999,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.13 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 -0.03 -0.03 -0.06 -[35] 0.00 0.00 20.0 0.00 -0.00 0.03 -0.08 0.13 0.05 +[35] 3.81 0.00 0.00 0.03 -0.00 0.00 -0.01 0.13 0.00 +[35] 0.00 6.95 0.00 -0.00 0.03 -0.00 -0.03 -0.04 -0.06 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 -0.08 0.13 0.05 @@ -5019,9 +5020,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.00 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 0.00 -0.03 0.00 -[35] 0.00 0.00 20.0 0.00 -0.00 0.02 0.00 0.00 0.05 +[35] 3.81 0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 +[35] 0.00 6.95 0.00 -0.00 0.02 -0.00 0.00 -0.04 0.00 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 0.00 0.00 0.05 @@ -5065,7 +5066,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 5 Address 82633 Length 234 Created on + Print list type 20 serial number 5 Address 83057 Length 234 Created on @@ -5206,9 +5207,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.18 0.61 1.7 0.02 0.00 -0.00 0.04 0.03 -0.06 -[35] 0.61 12.54 0.0 0.00 0.02 -0.00 -0.20 -0.00 0.04 -[35] 1.75 0.03 15.1 -0.00 -0.00 0.03 -0.15 0.02 -0.03 +[35] 4.19 0.61 1.75 0.03 0.00 -0.00 0.04 0.04 -0.07 +[35] 0.61 12.54 0.04 0.00 0.03 -0.00 -0.20 -0.01 0.04 +[35] 1.75 0.04 15.15 -0.00 -0.00 0.03 -0.15 0.03 -0.03 @@ -5233,9 +5234,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 0.00 -0.00 0.08 0.04 -0.05 -[35] 0.00 12.57 0.0 0.00 0.02 -0.00 -0.19 -0.02 0.01 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 -0.14 0.02 -0.06 +[35] 3.87 0.00 0.00 0.03 0.00 -0.00 0.09 0.04 -0.05 +[35] 0.00 12.58 0.00 0.00 0.03 -0.00 -0.20 -0.02 0.01 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 -0.15 0.03 -0.06 @@ -5254,9 +5255,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 -0.00 -0.00 0.08 0.00 0.00 -[35] 0.00 12.57 0.0 -0.00 0.02 -0.00 0.00 -0.02 0.00 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 0.00 0.00 -0.06 +[35] 3.87 0.00 0.00 0.02 -0.00 -0.00 0.09 0.00 0.00 +[35] 0.00 12.58 0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 0.00 0.00 -0.06 @@ -5312,7 +5313,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 6 Address 82867 Length 234 Created on + Print list type 20 serial number 6 Address 83291 Length 234 Created on diff --git a/test_suite/LINUXGH.org/twin2.out b/test_suite/LINUXGH.org/twin2.out index 68469b2c5..588cace30 100644 --- a/test_suite/LINUXGH.org/twin2.out +++ b/test_suite/LINUXGH.org/twin2.out @@ -204,8 +204,8 @@ LS-scale= 10.008 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.55E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 5.55E-05 +[80a] Block No 1. Single precision relative error: 6E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 6E-05 S/ESD 1 1 -0.094 0.0E+00 0.485E-01 -1.95 SCALE Composite @@ -276,12 +276,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.006 0.009 +[31] 0.012 0.006 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.009 0.017 +[31] 0.018 0.009 0.017 [03] Reversals @@ -337,37 +337,37 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.000 0.005 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.005 0.005 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.004 0.004 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.005 +[31] 0.009 0.009 0.005 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.005 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.005 +[31] 0.008 0.008 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC NO NO @@ -1242,8 +1242,8 @@ LS-scale= 9.913 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.17E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.17E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 S/ESD 1 1 -0.069 0.7E+00 0.517E-01 -1.33 SCALE Composite @@ -1292,12 +1292,12 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.001 +[31] 0.005 0.004 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.002 +[31] 0.009 0.006 0.002 [03] Reversals @@ -1353,37 +1353,37 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1472,8 +1472,8 @@ LS-scale= 9.844 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.35E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.35E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 for 44 parameters [64] The rms (shift/su) = 0. @@ -1517,12 +1517,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -1578,37 +1578,37 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.003 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #FINI diff --git a/test_suite/LINUXGHGUI.org/absorb.out b/test_suite/LINUXGHGUI.org/absorb.out index 73a93639c..36dac68bf 100644 --- a/test_suite/LINUXGHGUI.org/absorb.out +++ b/test_suite/LINUXGHGUI.org/absorb.out @@ -16,7 +16,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -48,16 +48,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 53 @@ -115,16 +115,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 -0.58 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.68 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 1.04 2.35 -[35] 1.87 0.00 0.0 0.00 0.00 0.00 0.00 0.10 103.68 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 -0.59 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.68 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 1.05 2.35 +[35] 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.11 103.69 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 The updated reflections are now on UNIT 52 @@ -145,7 +145,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.079 -0.093 [89] -0.09 0.02 -0.10 @@ -177,16 +177,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 129.91 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.05 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 129.91 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 The updated reflections are now on UNIT 53 @@ -208,7 +208,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -233,16 +233,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 52 @@ -259,7 +259,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -286,16 +286,16 @@ -4. -2. -1. Excessive shape correction Inclinations 0.045 0.388 0.040 Correction 5.088 -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 4.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 3.8 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.4 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.6 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 2.4 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 53 @@ -309,7 +309,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -341,16 +341,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 52 diff --git a/test_suite/LINUXGHGUI.org/amp.out b/test_suite/LINUXGHGUI.org/amp.out index 89007043f..2d5c48744 100644 --- a/test_suite/LINUXGHGUI.org/amp.out +++ b/test_suite/LINUXGHGUI.org/amp.out @@ -469,8 +469,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +510,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +560,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +692,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +737,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +787,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +919,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +957,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1010,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1155,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1199,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1249,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1381,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1426,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1476,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1608,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1653,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1703,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1835,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1877,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1930,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2077,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2130,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2183,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2315,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2361,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2414,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGHGUI.org/batch.out b/test_suite/LINUXGHGUI.org/batch.out index e3f52901c..747a9d161 100644 --- a/test_suite/LINUXGHGUI.org/batch.out +++ b/test_suite/LINUXGHGUI.org/batch.out @@ -242,8 +242,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -283,12 +283,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -344,57 +344,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -476,8 +476,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -518,15 +518,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.004 [03] Reversals @@ -582,57 +582,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -714,8 +714,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.19E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.19E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -756,15 +756,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -820,57 +820,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -953,8 +953,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.15E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.15E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -991,15 +991,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1055,57 +1055,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1199,8 +1199,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.19 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -1242,12 +1242,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -1303,57 +1303,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1435,8 +1435,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -1481,12 +1481,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -1542,57 +1542,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1674,8 +1674,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1716,15 +1716,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -1780,57 +1780,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1913,8 +1913,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1951,15 +1951,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2015,57 +2015,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2160,8 +2160,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.79 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -2213,12 +2213,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -2274,57 +2274,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2406,8 +2406,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.38 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -2450,15 +2450,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -2514,57 +2514,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2646,8 +2646,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2691,12 +2691,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -2752,57 +2752,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2885,8 +2885,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2926,12 +2926,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -2987,57 +2987,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3290,8 +3290,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -3330,15 +3330,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3471,8 +3471,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -3515,15 +3515,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3656,8 +3656,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3698,15 +3698,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3910,8 +3910,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3948,15 +3948,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4153,8 +4153,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -4193,15 +4193,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4334,8 +4334,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4376,15 +4376,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4517,8 +4517,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4555,15 +4555,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4772,8 +4772,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -4813,15 +4813,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4954,8 +4954,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -4998,15 +4998,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5139,8 +5139,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -5181,15 +5181,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5408,8 +5408,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5449,12 +5449,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -5510,57 +5510,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5642,8 +5642,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5684,15 +5684,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5748,57 +5748,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5880,8 +5880,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.55E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.55E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5922,15 +5922,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5986,57 +5986,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -6201,8 +6201,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -6239,15 +6239,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -6303,57 +6303,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -6448,8 +6448,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -6491,15 +6491,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -6555,57 +6555,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -6687,8 +6687,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -6732,12 +6732,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.024 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -6793,57 +6793,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6925,8 +6925,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -6967,15 +6967,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -7031,57 +7031,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -7246,8 +7246,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -7284,15 +7284,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7348,57 +7348,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7493,8 +7493,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.139E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.7 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.2 O 3 U[22] @@ -7547,12 +7547,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.009 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.02 -[31] 0.016 0.006 0.010 +[31] 0.016 0.007 0.010 [03] Reversals @@ -7608,57 +7608,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.17 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7740,8 +7740,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.62 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.5 C 4 U[11] @@ -7784,15 +7784,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [03] Reversals @@ -7848,57 +7848,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7980,8 +7980,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8025,12 +8025,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -8086,57 +8086,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -8301,8 +8301,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8339,15 +8339,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -8403,57 +8403,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -8690,8 +8690,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -8731,12 +8731,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -8792,57 +8792,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8924,8 +8924,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -8966,15 +8966,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.005 [03] Reversals @@ -9030,57 +9030,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9162,8 +9162,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9204,15 +9204,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9268,57 +9268,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -9401,8 +9401,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9439,15 +9439,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9503,57 +9503,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9647,8 +9647,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.18 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -9690,12 +9690,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -9751,57 +9751,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9883,8 +9883,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -9929,12 +9929,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -9990,57 +9990,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10122,8 +10122,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10164,15 +10164,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -10228,57 +10228,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10361,8 +10361,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.25E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.25E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10399,15 +10399,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10463,57 +10463,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -10608,8 +10608,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.80 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -10661,12 +10661,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -10722,57 +10722,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10854,8 +10854,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.37 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -10898,15 +10898,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -10962,57 +10962,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11094,8 +11094,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11139,12 +11139,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -11200,57 +11200,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11333,8 +11333,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11374,12 +11374,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -11435,57 +11435,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -11738,8 +11738,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -11778,15 +11778,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11919,8 +11919,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -11963,15 +11963,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12104,8 +12104,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12146,15 +12146,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12358,8 +12358,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12396,15 +12396,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12601,8 +12601,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -12641,15 +12641,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12782,8 +12782,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12824,15 +12824,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12965,8 +12965,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -13003,15 +13003,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13220,8 +13220,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -13261,15 +13261,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13402,8 +13402,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -13446,15 +13446,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13587,8 +13587,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -13629,15 +13629,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13856,8 +13856,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.51E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -13897,12 +13897,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -13958,57 +13958,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14090,8 +14090,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.53E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.53E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14132,15 +14132,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14196,57 +14196,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14328,8 +14328,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14370,15 +14370,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14434,57 +14434,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14649,8 +14649,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14687,15 +14687,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14751,57 +14751,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -14896,8 +14896,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -14939,15 +14939,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -15003,57 +15003,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -15135,8 +15135,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -15180,12 +15180,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.025 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -15241,57 +15241,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15373,8 +15373,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15415,15 +15415,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -15479,57 +15479,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -15694,8 +15694,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15732,15 +15732,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -15796,57 +15796,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15941,8 +15941,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.140E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.8 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.1 O 3 U[22] @@ -15997,12 +15997,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.003 0.004 +[31] 0.009 0.004 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.017 0.005 0.007 +[31] 0.017 0.006 0.007 [03] Reversals @@ -16058,57 +16058,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16190,8 +16190,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.63 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.6 C 4 U[11] @@ -16234,15 +16234,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.001 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.007 0.005 [03] Reversals @@ -16298,57 +16298,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16430,8 +16430,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16475,12 +16475,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -16536,57 +16536,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -16751,8 +16751,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16789,15 +16789,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -16853,57 +16853,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -17140,8 +17140,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -17179,15 +17179,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -17243,57 +17243,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17375,8 +17375,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17417,15 +17417,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -17481,57 +17481,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17613,8 +17613,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17658,12 +17658,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -17719,57 +17719,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -17852,8 +17852,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17890,15 +17890,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -17954,57 +17954,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -18098,8 +18098,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -18142,12 +18142,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -18203,57 +18203,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18335,8 +18335,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -18381,12 +18381,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -18442,57 +18442,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18574,8 +18574,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18619,12 +18619,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -18680,57 +18680,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -18813,8 +18813,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18854,12 +18854,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -18915,57 +18915,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -19060,8 +19060,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.41 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -19120,12 +19120,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -19181,57 +19181,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -19313,8 +19313,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.435E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -19360,12 +19360,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -19421,57 +19421,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19553,8 +19553,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19598,12 +19598,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -19659,57 +19659,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19792,8 +19792,8 @@ LS-scale= 1.658 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19833,12 +19833,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -19894,57 +19894,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -20192,8 +20192,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -20232,15 +20232,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20368,8 +20368,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -20412,15 +20412,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20548,8 +20548,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -20592,15 +20592,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20799,8 +20799,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -20839,15 +20839,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21036,8 +21036,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -21076,15 +21076,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21217,8 +21217,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21259,15 +21259,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21400,8 +21400,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21442,15 +21442,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21659,8 +21659,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 2 @@ -21700,15 +21700,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21841,8 +21841,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.95E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.88 SCALE for 2 parameters @@ -21884,15 +21884,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22025,8 +22025,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -22067,15 +22067,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22294,8 +22294,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22335,12 +22335,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -22396,57 +22396,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22528,8 +22528,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22566,15 +22566,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22630,57 +22630,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -22845,8 +22845,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22883,15 +22883,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22947,57 +22947,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -23092,8 +23092,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.9 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -23138,12 +23138,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -23199,57 +23199,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -23331,8 +23331,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -23377,12 +23377,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -23438,57 +23438,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23570,8 +23570,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23615,12 +23615,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -23676,57 +23676,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -23891,8 +23891,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23929,15 +23929,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -23993,57 +23993,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -24138,8 +24138,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -24198,12 +24198,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -24259,57 +24259,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24391,8 +24391,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -24438,12 +24438,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -24499,57 +24499,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24631,8 +24631,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24676,12 +24676,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -24737,57 +24737,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -24952,8 +24952,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24993,12 +24993,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -25054,57 +25054,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -25342,8 +25342,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -25381,15 +25381,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -25445,57 +25445,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25577,8 +25577,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25619,15 +25619,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -25683,57 +25683,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25815,8 +25815,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25860,12 +25860,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -25921,57 +25921,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -26054,8 +26054,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -26092,15 +26092,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -26156,57 +26156,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -26300,8 +26300,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -26344,12 +26344,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -26405,57 +26405,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26537,8 +26537,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -26583,12 +26583,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -26644,57 +26644,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26776,8 +26776,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -26821,12 +26821,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -26882,57 +26882,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -27015,8 +27015,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -27056,12 +27056,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -27117,57 +27117,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -27262,8 +27262,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.42 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -27322,12 +27322,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -27383,57 +27383,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -27515,8 +27515,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.436E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -27562,12 +27562,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -27623,57 +27623,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27755,8 +27755,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -27800,12 +27800,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -27861,57 +27861,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -27994,8 +27994,8 @@ LS-scale= 1.659 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -28035,12 +28035,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -28096,57 +28096,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -28394,8 +28394,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -28434,15 +28434,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28570,8 +28570,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -28614,15 +28614,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28750,8 +28750,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -28794,15 +28794,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29001,8 +29001,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -29041,15 +29041,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29238,8 +29238,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -29278,15 +29278,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29419,8 +29419,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29461,15 +29461,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29602,8 +29602,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29644,15 +29644,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29861,8 +29861,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 2 @@ -29902,15 +29902,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30043,8 +30043,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.96E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.87 SCALE for 2 parameters @@ -30086,15 +30086,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30227,8 +30227,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -30269,15 +30269,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30496,8 +30496,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30537,12 +30537,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -30598,57 +30598,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -30730,8 +30730,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30768,15 +30768,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30832,57 +30832,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -31047,8 +31047,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -31085,15 +31085,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -31149,57 +31149,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -31294,8 +31294,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.8 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -31340,12 +31340,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -31401,57 +31401,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -31533,8 +31533,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -31579,12 +31579,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -31640,57 +31640,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31772,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -31817,12 +31817,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -31878,57 +31878,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -32093,8 +32093,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -32131,15 +32131,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32195,57 +32195,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -32340,8 +32340,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -32400,12 +32400,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -32461,57 +32461,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32593,8 +32593,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -32640,12 +32640,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -32701,57 +32701,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32833,8 +32833,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -32878,12 +32878,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -32939,57 +32939,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -33154,8 +33154,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -33195,12 +33195,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -33256,57 +33256,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGHGUI.org/bigsfls.out b/test_suite/LINUXGHGUI.org/bigsfls.out index 097bc4bcf..95be8d89b 100644 --- a/test_suite/LINUXGHGUI.org/bigsfls.out +++ b/test_suite/LINUXGHGUI.org/bigsfls.out @@ -2084,8 +2084,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.17E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2.17E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2E-05 Composite Composite @@ -2465,12 +2465,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.004 0.009 +[31] 0.026 0.004 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.04 0.01 0.01 0.01 -[31] 0.113 0.007 0.042 +[31] 0.114 0.008 0.043 [03] Reversals @@ -2515,742 +2515,742 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.007 0.011 0.009 +[31] 0.008 0.011 0.010 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.008 0.010 0.006 +[31] 0.008 0.010 0.007 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.008 0.010 0.007 +[31] 0.008 0.011 0.007 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.007 0.010 0.009 +[31] 0.007 0.011 0.010 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.23 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.04 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.010 0.005 0.011 +[31] 0.010 0.006 0.011 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.007 0.005 0.008 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.005 +[31] 0.006 0.007 0.006 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.008 0.007 0.008 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.006 0.008 0.008 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.008 +[31] 0.006 0.007 0.008 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.007 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.007 0.007 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.006 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.008 0.009 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.008 +[31] 0.007 0.006 0.008 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.007 0.008 0.008 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.009 0.007 0.008 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.009 +[31] 0.007 0.010 0.010 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.010 +[31] 0.009 0.007 0.010 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.008 0.010 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.009 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.006 0.007 0.009 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.006 +[31] 0.009 0.008 0.006 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.008 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.008 0.007 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.008 +[31] 0.008 0.006 0.008 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.007 +[31] 0.006 0.009 0.007 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.009 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.010 +[31] 0.008 0.007 0.010 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.007 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.007 0.009 0.007 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.010 +[31] 0.009 0.008 0.010 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.008 +[31] 0.011 0.010 0.009 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.011 +[31] 0.011 0.008 0.011 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.010 +[31] 0.008 0.008 0.010 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.009 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.008 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.009 +[31] 0.010 0.007 0.010 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.009 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.03 -[31] 0.122 0.123 0.128 +[31] 0.122 0.124 0.129 [37] H 116. 1.00 1.00 0.51 0.41 0.11 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.010 +[31] 0.010 0.007 0.010 [37] H 115. 1.00 1.00 0.57 0.53 0.00 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.011 0.006 [37] H 114. 1.00 1.00 0.58 0.68 0.01 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.008 [37] H 113. 1.00 1.00 0.52 0.69 0.14 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] H 112. 1.00 1.00 0.45 0.57 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.010 0.007 [37] H 126. 1.00 1.00 0.61 0.30 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] H 125. 1.00 1.00 0.72 0.17 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.011 +[31] 0.007 0.012 0.012 [37] H 124. 1.00 1.00 0.68 0.08 0.19 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.009 0.012 [37] H 123. 1.00 1.00 0.52 0.12 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.010 0.011 [37] H 122. 1.00 1.00 0.42 0.25 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.010 +[31] 0.008 0.011 0.011 [37] H 136. 1.00 1.00 0.33 0.32 0.45 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.009 0.010 +[31] 0.007 0.009 0.010 [37] H 135. 1.00 1.00 0.37 0.31 0.56 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.006 [37] H 134. 1.00 1.00 0.52 0.38 0.54 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] H 133. 1.00 1.00 0.62 0.45 0.41 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.011 +[31] 0.008 0.010 0.011 [37] H 132. 1.00 1.00 0.58 0.46 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.006 +[31] 0.009 0.009 0.007 [37] H 216. 1.00 1.00 0.24 0.72 0.20 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.010 0.010 0.008 [37] H 215. 1.00 1.00 0.31 0.81 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.011 +[31] 0.011 0.006 0.011 [37] H 214. 1.00 1.00 0.35 0.74 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.010 0.010 0.012 [37] H 213. 1.00 1.00 0.32 0.59 0.44 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.007 +[31] 0.010 0.011 0.008 [37] H 212. 1.00 1.00 0.25 0.50 0.39 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.009 +[31] 0.010 0.006 0.009 [37] H 226. 1.00 1.00 0.05 0.68 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.008 +[31] 0.012 0.010 0.009 [37] H 225. 1.00 1.00 -0.11 0.73 0.31 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.014 +[31] 0.013 0.009 0.014 [37] H 224. 1.00 1.00 -0.19 0.62 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.014 0.013 +[31] 0.007 0.014 0.013 [37] H 223. 1.00 1.00 -0.12 0.48 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.012 0.012 0.009 [37] H 222. 1.00 1.00 0.04 0.43 0.41 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.007 0.011 +[31] 0.012 0.007 0.012 [37] H 236. 1.00 1.00 0.06 0.55 0.17 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.011 +[31] 0.007 0.011 0.011 [37] H 235. 1.00 1.00 0.08 0.60 0.03 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.013 +[31] 0.011 0.012 0.013 [37] H 234. 1.00 1.00 0.23 0.66 -0.06 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.007 +[31] 0.014 0.011 0.007 [37] H 233. 1.00 1.00 0.36 0.67 -0.01 0.07 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] H 232. 1.00 1.00 0.34 0.61 0.12 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.012 +[31] 0.008 0.011 0.012 [37] H 316. 1.00 1.00 0.17 0.17 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.011 +[31] 0.007 0.011 0.012 [37] H 315. 1.00 1.00 0.27 0.11 0.64 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.006 +[31] 0.013 0.011 0.007 [37] H 314. 1.00 1.00 0.44 0.07 0.59 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.012 0.011 0.012 [37] H 313. 1.00 1.00 0.52 0.09 0.45 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.013 +[31] 0.006 0.011 0.013 [37] H 312. 1.00 1.00 0.42 0.14 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.011 0.011 0.007 [37] H 326. 1.00 1.00 0.07 0.09 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.009 0.011 [37] H 325. 1.00 1.00 -0.08 0.07 0.51 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.011 0.009 0.013 [37] H 324. 1.00 1.00 -0.16 0.16 0.59 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.012 0.010 +[31] 0.007 0.013 0.010 [37] H 323. 1.00 1.00 -0.07 0.28 0.58 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] H 322. 1.00 1.00 0.08 0.31 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.008 0.012 [37] H 336. 1.00 1.00 0.19 0.22 0.23 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.010 0.008 0.012 [37] H 335. 1.00 1.00 0.23 0.11 0.15 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.008 +[31] 0.012 0.014 0.009 [37] H 334. 1.00 1.00 0.31 -0.02 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.012 0.012 0.013 [37] H 333. 1.00 1.00 0.35 -0.07 0.32 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.014 +[31] 0.011 0.008 0.014 [37] H 332. 1.00 1.00 0.31 0.03 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.011 0.012 0.009 [37] H 413. 1.00 1.00 -0.29 0.59 0.15 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.011 +[31] 0.009 0.010 0.011 [37] H 415. 1.00 1.00 -0.29 0.54 0.12 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.010 0.012 0.010 [37] H 416. 1.00 1.00 -0.17 0.38 0.15 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.012 0.010 0.011 [37] H 412. 1.00 1.00 -0.20 0.61 0.27 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.009 0.011 +[31] 0.012 0.010 0.012 [37] H 414. 1.00 1.00 -0.09 0.47 0.29 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [37] H 426. 1.00 1.00 -0.09 0.20 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.013 +[31] 0.009 0.012 0.013 [37] H 425. 1.00 1.00 0.00 0.17 0.05 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.016 +[31] 0.016 0.011 0.016 [37] H 424. 1.00 1.00 0.14 0.23 -0.03 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.010 +[31] 0.015 0.014 0.010 [37] H 423. 1.00 1.00 0.21 0.33 0.00 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.012 +[31] 0.009 0.013 0.012 [37] H 422. 1.00 1.00 0.13 0.37 0.11 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.014 +[31] 0.013 0.010 0.015 [37] H 436. 1.00 1.00 -0.02 0.12 0.30 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.011 +[31] 0.008 0.013 0.012 [37] H 435. 1.00 1.00 -0.13 0.01 0.39 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.007 0.014 +[31] 0.015 0.007 0.014 [37] H 434. 1.00 1.00 -0.29 0.05 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] H 433. 1.00 1.00 -0.34 0.20 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.015 0.011 +[31] 0.008 0.015 0.011 [37] H 432. 1.00 1.00 -0.24 0.32 0.36 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.013 +[31] 0.013 0.008 0.013 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.066 0.224 0.384 0.225 0.178 1.306 Might be split @@ -3356,8 +3356,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.30E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.30E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -3394,15 +3394,15 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -3447,442 +3447,442 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.000 0.001 0.001 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.000 0.002 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 222. 1.00 1.00 0.00 0.50 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 322. 1.00 1.00 0.04 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 325. 1.00 1.00 -0.04 0.11 0.50 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -3992,8 +3992,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.76E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.76E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 [14] S/ESD 217 217 -0.012 0.0E+00 0.79 E-03 -15.0 C 414 X [14] S/ESD 219 219 -0.010 0.0E+00 0.63 E-03 -16.9 C 414 Z @@ -4035,12 +4035,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.030 +[31] 0.029 0.024 0.030 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.174 0.155 0.200 +[31] 0.175 0.155 0.201 [03] Reversals @@ -4085,437 +4085,437 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.006 0.007 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.019 +[31] 0.017 0.016 0.019 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.017 +[31] 0.016 0.019 0.017 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.014 +[31] 0.016 0.016 0.015 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.017 +[31] 0.016 0.018 0.017 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.017 +[31] 0.015 0.017 0.017 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.016 0.027 +[31] 0.021 0.016 0.028 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.011 0.012 0.012 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.011 +[31] 0.009 0.011 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.012 0.013 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.013 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.015 0.014 0.013 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.012 +[31] 0.015 0.014 0.013 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.014 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.011 0.013 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.010 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.011 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.014 0.014 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.014 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.013 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.016 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.014 0.014 0.014 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.011 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.014 0.012 0.015 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.017 +[31] 0.015 0.013 0.017 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.012 0.016 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.013 0.011 0.014 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.010 0.013 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.015 0.012 0.016 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.016 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.014 0.014 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.014 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.017 +[31] 0.013 0.017 0.017 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.013 0.016 0.016 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.013 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 413. 1.00 1.00 -0.24 0.57 0.19 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.015 0.013 [37] C 414. 1.00 1.00 -0.15 0.49 0.24 0.05 [73] 0.00 -0.01 0.00 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.014 0.012 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.014 0.013 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.013 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.013 0.015 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.019 +[31] 0.018 0.016 0.019 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.015 +[31] 0.014 0.013 0.015 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.016 0.015 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.015 +[31] 0.016 0.017 0.015 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.017 0.015 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.015 0.015 0.014 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -4635,15 +4635,15 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.007 +[31] 0.004 0.004 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.017 0.058 +[31] 0.036 0.017 0.059 [03] Reversals @@ -4688,437 +4688,437 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.018 +[31] 0.016 0.015 0.018 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.016 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.015 0.014 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.017 0.016 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.016 +[31] 0.014 0.016 0.016 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.026 +[31] 0.020 0.015 0.026 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.011 0.011 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.010 0.008 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.011 0.012 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.014 0.013 0.012 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.010 +[31] 0.009 0.009 0.010 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.009 0.011 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.012 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.013 +[31] 0.011 0.014 0.013 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.012 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.014 0.015 0.015 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 225. 1.00 1.00 -0.08 0.67 0.33 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.014 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.016 +[31] 0.015 0.012 0.016 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.015 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.012 0.010 0.012 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.014 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.011 0.015 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.013 0.013 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.016 +[31] 0.013 0.016 0.016 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.015 +[31] 0.012 0.015 0.015 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.013 0.012 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [37] C 413. 1.00 1.00 -0.25 0.57 0.19 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.012 [37] C 414. 1.00 1.00 -0.15 0.50 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.011 0.013 0.011 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.012 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.013 0.012 0.014 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.015 0.018 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.013 0.012 0.014 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.012 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.013 +[31] 0.015 0.015 0.014 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.014 +[31] 0.015 0.016 0.014 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.016 0.014 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split diff --git a/test_suite/LINUXGHGUI.org/difabs.out b/test_suite/LINUXGHGUI.org/difabs.out index 44ad1f5d2..db60451a9 100644 --- a/test_suite/LINUXGHGUI.org/difabs.out +++ b/test_suite/LINUXGHGUI.org/difabs.out @@ -14,7 +14,7 @@ [89] 0.02 -0.08 0.05 -[31] 0.139 -0.000 -0.003 +[31] 0.139 -0.001 -0.003 #LIST 2 #LIST 6 #LIST 28 diff --git a/test_suite/LINUXGHGUI.org/eigenfilter.out b/test_suite/LINUXGHGUI.org/eigenfilter.out index f1f8c65c0..cfee6759b 100644 --- a/test_suite/LINUXGHGUI.org/eigenfilter.out +++ b/test_suite/LINUXGHGUI.org/eigenfilter.out @@ -508,12 +508,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -558,57 +558,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -733,12 +733,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -783,57 +783,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -951,15 +951,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1004,57 +1004,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1191,12 +1191,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1241,57 +1241,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1416,12 +1416,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1466,57 +1466,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1641,12 +1641,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1691,57 +1691,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1863,15 +1863,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1916,57 +1916,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2114,15 +2114,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2167,57 +2167,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2343,15 +2343,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2396,57 +2396,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2978,15 +2978,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3031,57 +3031,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3531,12 +3531,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -3581,57 +3581,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3756,12 +3756,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -3806,57 +3806,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3981,12 +3981,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4031,57 +4031,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4218,12 +4218,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4268,57 +4268,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4443,12 +4443,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4493,57 +4493,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4668,12 +4668,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -4718,57 +4718,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4890,15 +4890,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -4943,57 +4943,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5141,15 +5141,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.76 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5194,57 +5194,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5370,15 +5370,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5423,57 +5423,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -6003,15 +6003,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.008 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.014 0.023 0.018 [03] Reversals @@ -6056,57 +6056,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -6557,12 +6557,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -6607,57 +6607,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -6782,12 +6782,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -6832,57 +6832,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7007,12 +7007,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -7057,57 +7057,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -7243,12 +7243,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -7293,57 +7293,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7468,12 +7468,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -7518,57 +7518,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7693,12 +7693,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -7743,57 +7743,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7911,15 +7911,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7964,57 +7964,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8164,15 +8164,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8217,57 +8217,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8393,15 +8393,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8446,57 +8446,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -9037,15 +9037,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -9090,57 +9090,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -9591,12 +9591,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -9641,57 +9641,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -9816,12 +9816,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -9866,57 +9866,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10041,12 +10041,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -10091,57 +10091,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -10277,12 +10277,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -10327,57 +10327,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10502,12 +10502,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -10552,57 +10552,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10727,12 +10727,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -10777,57 +10777,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10945,15 +10945,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10998,57 +10998,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11198,15 +11198,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11251,57 +11251,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11427,15 +11427,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11480,57 +11480,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -12071,15 +12071,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -12124,57 +12124,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGHGUI.org/esd.out b/test_suite/LINUXGHGUI.org/esd.out index 5c2dd4895..921a58476 100644 --- a/test_suite/LINUXGHGUI.org/esd.out +++ b/test_suite/LINUXGHGUI.org/esd.out @@ -843,8 +843,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -913,12 +913,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.003 0.005 [03] Reversals @@ -963,37 +963,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST @@ -1963,8 +1963,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.12E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -2025,12 +2025,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.002 0.005 [03] Reversals @@ -2075,37 +2075,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST diff --git a/test_suite/LINUXGHGUI.org/flack.out b/test_suite/LINUXGHGUI.org/flack.out index 37ba92394..42f14b5c4 100644 --- a/test_suite/LINUXGHGUI.org/flack.out +++ b/test_suite/LINUXGHGUI.org/flack.out @@ -142,8 +142,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -180,15 +180,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -289,8 +289,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -327,15 +327,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -474,8 +474,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -513,15 +513,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -613,8 +613,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -651,15 +651,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -783,8 +783,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -821,15 +821,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -930,8 +930,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -968,15 +968,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1115,8 +1115,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -1154,15 +1154,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1254,8 +1254,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1292,15 +1292,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1425,8 +1425,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.4 E-02 -0.2 POLARITY for 1 parameters @@ -1464,15 +1464,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1573,8 +1573,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1611,15 +1611,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1758,8 +1758,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -2.0 0.0E+00 0.3 E+00 -6.0 POLARITY for 1 parameters @@ -1797,15 +1797,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1897,8 +1897,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 -0.9E-03 0.4 E-02 0.4 POLARITY for 1 parameters @@ -1936,15 +1936,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2069,8 +2069,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.1 E-02 -0.5 ENANTIO for 1 parameters @@ -2108,15 +2108,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2218,8 +2218,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -2256,15 +2256,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2403,8 +2403,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.9 0.0E+00 0.1 E+00 -6.7 ENANTIO for 1 parameters @@ -2442,15 +2442,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2542,8 +2542,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.6E-02 0.2 E-02 -3.1 ENANTIO for 1 parameters @@ -2581,15 +2581,15 @@ All cycle Min function 0.0 0.50E-03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2736,8 +2736,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 1 1 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 1 parameters @@ -2775,15 +2775,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -2828,7 +2828,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2879,8 +2879,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -2921,15 +2921,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -2974,7 +2974,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3026,8 +3026,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -3064,15 +3064,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3117,7 +3117,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3168,8 +3168,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 4. @@ -3210,15 +3210,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -3263,7 +3263,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FINALLY, INVERT POLARITY AND ENANTIOMER, @@ -3371,8 +3371,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.25E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 2 2 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 2 parameters @@ -3410,15 +3410,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -3463,7 +3463,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3515,8 +3515,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.28E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.28E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3557,15 +3557,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -3610,7 +3610,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3662,8 +3662,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3700,15 +3700,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3753,7 +3753,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3804,8 +3804,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 3. @@ -3846,15 +3846,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3899,7 +3899,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOW IMPORT AGS4, THE SHELX2013 TEST DATA @@ -4323,8 +4323,8 @@ LS-scale= 2.699 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.86E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.86E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 0.052 0.0E+00 0.335E-01 1.56 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.2 E-01 0.1 ENANTIO @@ -4366,12 +4366,12 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.001 0.002 0.006 [03] Reversals @@ -4416,42 +4416,42 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.045 0.093 0.310 0.149 0.109 0.632 Might be split @@ -4536,8 +4536,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.83E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.83E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 [13] LARGE 2 2 0.0 0.3E+00 0.2 E-01 0.0 ENANTIO for 56 parameters @@ -4582,12 +4582,12 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -4632,42 +4632,42 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.625 Might be split @@ -4752,8 +4752,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.82E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.82E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 for 56 parameters [64] The rms (shift/su) = 0. @@ -4793,12 +4793,12 @@ All cycle Rw 0.0 7.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [03] Reversals @@ -4843,42 +4843,42 @@ All cycle Rw 0.0 7.1 0.10E+03 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.624 Might be split diff --git a/test_suite/LINUXGHGUI.org/fourier.out b/test_suite/LINUXGHGUI.org/fourier.out index 6da259749..77153eb30 100644 --- a/test_suite/LINUXGHGUI.org/fourier.out +++ b/test_suite/LINUXGHGUI.org/fourier.out @@ -27949,8 +27949,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -27990,12 +27990,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -28040,57 +28040,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28172,8 +28172,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28217,12 +28217,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -28267,57 +28267,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28399,8 +28399,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28437,15 +28437,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -28490,57 +28490,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -28635,8 +28635,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -28679,12 +28679,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -28729,57 +28729,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28861,8 +28861,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -28906,12 +28906,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -28956,57 +28956,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29088,8 +29088,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29133,12 +29133,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -29183,57 +29183,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29315,8 +29315,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29357,15 +29357,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -29410,57 +29410,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -29557,8 +29557,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -29610,15 +29610,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29663,57 +29663,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29795,8 +29795,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -29841,15 +29841,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29894,57 +29894,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 diff --git a/test_suite/LINUXGHGUI.org/geom.out b/test_suite/LINUXGHGUI.org/geom.out index 4dd4198e6..56b9ebbce 100644 --- a/test_suite/LINUXGHGUI.org/geom.out +++ b/test_suite/LINUXGHGUI.org/geom.out @@ -189,9 +189,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 5.64 -0.82 -2.7 0.02 -0.00 0.00 -0.05 -0.06 0.11 -[35] -0.82 16.99 4.6 -0.00 0.03 -0.00 0.13 -0.06 0.04 -[35] -2.72 4.60 2.2 0.00 -0.00 0.03 -0.08 -0.38 0.11 +[35] 5.64 -0.82 -2.72 0.02 -0.00 0.00 -0.05 -0.06 0.11 +[35] -0.82 17.00 4.61 -0.00 0.03 -0.00 0.14 -0.06 0.05 +[35] -2.72 4.61 2.28 0.00 -0.00 0.03 -0.09 -0.39 0.11 @@ -216,9 +216,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.00 -0.00 0.14 -0.24 -0.28 -[35] 0.00 6.47 0.0 -0.00 0.02 0.00 0.05 0.00 0.08 -[35] 0.00 0.00 18.5 -0.00 0.00 0.02 0.13 0.04 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.00 -0.00 0.15 -0.24 -0.28 +[35] 0.00 6.47 0.00 -0.00 0.02 0.00 0.06 0.00 0.08 +[35] 0.00 0.00 18.51 -0.00 0.00 0.03 0.14 0.04 -0.15 @@ -237,9 +237,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.53 -0.62 0.14 0.00 0.00 -[35] 0.00 6.47 0.0 -0.53 0.88 1.01 0.00 0.00 0.00 -[35] 0.00 0.00 18.5 -0.62 1.01 1.21 0.00 0.00 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.54 -0.62 0.15 0.00 0.00 +[35] 0.00 6.47 0.00 -0.54 0.89 1.01 0.00 0.00 0.00 +[35] 0.00 0.00 18.51 -0.62 1.01 1.21 0.00 0.00 -0.15 diff --git a/test_suite/LINUXGHGUI.org/layers.out b/test_suite/LINUXGHGUI.org/layers.out index 0e1a437fc..84273523b 100644 --- a/test_suite/LINUXGHGUI.org/layers.out +++ b/test_suite/LINUXGHGUI.org/layers.out @@ -411,8 +411,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -459,12 +459,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -520,57 +520,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -652,8 +652,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -708,12 +708,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -769,57 +769,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -901,8 +901,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -954,12 +954,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -1015,57 +1015,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1160,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -1212,12 +1212,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -1273,57 +1273,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1405,8 +1405,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -1458,12 +1458,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -1519,57 +1519,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1651,8 +1651,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -1701,15 +1701,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -1765,57 +1765,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1897,8 +1897,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -1950,12 +1950,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -2011,57 +2011,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2158,8 +2158,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -2222,15 +2222,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2286,57 +2286,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2418,8 +2418,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -2471,15 +2471,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2535,57 +2535,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3228,8 +3228,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.77 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -3279,15 +3279,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3343,57 +3343,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3475,8 +3475,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -3525,15 +3525,15 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3589,57 +3589,57 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3721,8 +3721,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -3770,15 +3770,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3834,57 +3834,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -4291,8 +4291,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -4339,12 +4339,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -4400,57 +4400,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4532,8 +4532,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -4588,12 +4588,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -4649,57 +4649,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4781,8 +4781,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -4834,12 +4834,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -4895,57 +4895,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5040,8 +5040,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -5092,12 +5092,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -5153,57 +5153,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5285,8 +5285,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -5338,12 +5338,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -5399,57 +5399,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5531,8 +5531,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -5581,15 +5581,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -5645,57 +5645,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5777,8 +5777,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -5830,12 +5830,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -5891,57 +5891,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -6038,8 +6038,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -6102,15 +6102,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6166,57 +6166,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6298,8 +6298,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -6351,15 +6351,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6415,57 +6415,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -7106,8 +7106,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.76 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -7157,15 +7157,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7221,57 +7221,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7353,8 +7353,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -7403,15 +7403,15 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7467,57 +7467,57 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7599,8 +7599,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -7648,15 +7648,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7712,57 +7712,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -8169,8 +8169,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -8220,12 +8220,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -8281,57 +8281,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -8413,8 +8413,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -8467,12 +8467,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.019 0.044 [03] Reversals @@ -8528,57 +8528,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -8660,8 +8660,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -8714,12 +8714,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -8775,57 +8775,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -8920,8 +8920,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.49 E-02 2.2 C 4 U[ISO] @@ -8973,12 +8973,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -9034,57 +9034,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9166,8 +9166,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -9218,12 +9218,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -9279,57 +9279,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9411,8 +9411,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -9464,12 +9464,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -9525,57 +9525,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9657,8 +9657,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -9710,12 +9710,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -9771,57 +9771,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9918,8 +9918,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 370.0 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -9982,15 +9982,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 370. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10046,57 +10046,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10178,8 +10178,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 74.0 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -10234,15 +10234,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10298,57 +10298,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -10989,8 +10989,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.8 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.47 LAYER 1 @@ -11039,15 +11039,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11103,57 +11103,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11235,8 +11235,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -11290,15 +11290,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11354,57 +11354,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11486,8 +11486,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -11537,15 +11537,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11601,57 +11601,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -12058,8 +12058,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -12109,12 +12109,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -12170,57 +12170,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -12302,8 +12302,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -12356,12 +12356,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.020 0.044 [03] Reversals @@ -12417,57 +12417,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -12549,8 +12549,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -12603,12 +12603,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -12664,57 +12664,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -12809,8 +12809,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.50 E-02 2.2 C 4 U[ISO] @@ -12862,12 +12862,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -12923,57 +12923,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13055,8 +13055,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -13107,12 +13107,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -13168,57 +13168,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13300,8 +13300,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -13353,12 +13353,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -13414,57 +13414,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13546,8 +13546,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -13599,12 +13599,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -13660,57 +13660,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -13807,8 +13807,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 369.9 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -13871,15 +13871,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 369. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13935,57 +13935,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14067,8 +14067,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 73.9 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -14123,15 +14123,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14187,57 +14187,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14878,8 +14878,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.7 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.48 LAYER 1 @@ -14928,15 +14928,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14992,57 +14992,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15124,8 +15124,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -15179,15 +15179,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15243,57 +15243,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15375,8 +15375,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -15426,15 +15426,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15490,57 +15490,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGHGUI.org/neutron.out b/test_suite/LINUXGHGUI.org/neutron.out index 8715612ea..37e899a83 100644 --- a/test_suite/LINUXGHGUI.org/neutron.out +++ b/test_suite/LINUXGHGUI.org/neutron.out @@ -395,8 +395,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -438,15 +438,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -491,97 +491,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -663,8 +663,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -708,12 +708,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -758,97 +758,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -930,8 +930,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -972,15 +972,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -1025,97 +1025,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1199,8 +1199,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1240,12 +1240,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -1290,97 +1290,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1462,8 +1462,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1507,12 +1507,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -1557,97 +1557,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1729,8 +1729,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1774,12 +1774,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1824,97 +1824,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1996,8 +1996,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -2034,15 +2034,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2087,97 +2087,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2274,8 +2274,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -2331,15 +2331,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2384,97 +2384,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2556,8 +2556,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -2600,15 +2600,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2653,97 +2653,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2826,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -2866,15 +2866,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -2919,97 +2919,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3091,8 +3091,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -3138,12 +3138,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -3188,97 +3188,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4021,8 +4021,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -4061,15 +4061,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4114,97 +4114,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4286,8 +4286,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -4330,15 +4330,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4383,97 +4383,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4555,8 +4555,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -4599,15 +4599,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4652,97 +4652,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -5128,8 +5128,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -5171,15 +5171,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -5224,97 +5224,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5396,8 +5396,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -5441,12 +5441,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -5491,97 +5491,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5663,8 +5663,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -5705,15 +5705,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -5758,97 +5758,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5932,8 +5932,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -5973,12 +5973,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -6023,97 +6023,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6195,8 +6195,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6240,12 +6240,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -6290,97 +6290,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6462,8 +6462,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6507,12 +6507,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6557,97 +6557,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6729,8 +6729,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6767,15 +6767,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6820,97 +6820,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7007,8 +7007,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -7064,15 +7064,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7117,97 +7117,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7289,8 +7289,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -7333,15 +7333,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7386,97 +7386,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7559,8 +7559,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -7599,15 +7599,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7652,97 +7652,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7824,8 +7824,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -7871,12 +7871,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7921,97 +7921,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8752,8 +8752,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -8792,15 +8792,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8845,97 +8845,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9017,8 +9017,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -9061,15 +9061,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9114,97 +9114,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9286,8 +9286,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -9330,15 +9330,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9383,97 +9383,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -9838,8 +9838,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -9900,15 +9900,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -9953,97 +9953,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -10125,8 +10125,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -10179,12 +10179,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -10229,97 +10229,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10401,8 +10401,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -10446,12 +10446,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -10496,97 +10496,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10670,8 +10670,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10711,12 +10711,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -10761,97 +10761,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10933,8 +10933,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10975,15 +10975,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11028,97 +11028,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11200,8 +11200,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -11238,15 +11238,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11291,97 +11291,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -11478,8 +11478,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -11538,15 +11538,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -11591,97 +11591,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11763,8 +11763,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -11810,12 +11810,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -11860,97 +11860,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12033,8 +12033,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -12073,15 +12073,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12126,97 +12126,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12298,8 +12298,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -12342,15 +12342,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12395,97 +12395,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13251,8 +13251,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -13291,15 +13291,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13344,97 +13344,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13516,8 +13516,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -13560,15 +13560,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13613,97 +13613,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13785,8 +13785,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -13829,15 +13829,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13882,97 +13882,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -14337,8 +14337,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -14399,15 +14399,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -14452,97 +14452,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -14624,8 +14624,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -14678,12 +14678,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -14728,97 +14728,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14900,8 +14900,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -14945,12 +14945,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -14995,97 +14995,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15169,8 +15169,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15210,12 +15210,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -15260,97 +15260,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15432,8 +15432,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15474,15 +15474,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15527,97 +15527,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15699,8 +15699,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15737,15 +15737,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15790,97 +15790,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15977,8 +15977,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -16037,15 +16037,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -16090,97 +16090,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16262,8 +16262,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -16309,12 +16309,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -16359,97 +16359,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16532,8 +16532,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -16572,15 +16572,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16625,97 +16625,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16797,8 +16797,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -16841,15 +16841,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16894,97 +16894,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17750,8 +17750,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -17790,15 +17790,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17843,97 +17843,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18015,8 +18015,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -18059,15 +18059,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18112,97 +18112,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18284,8 +18284,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -18328,15 +18328,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18381,97 +18381,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGHGUI.org/partial.out b/test_suite/LINUXGHGUI.org/partial.out index 1035d4548..ccb6d1ac1 100644 --- a/test_suite/LINUXGHGUI.org/partial.out +++ b/test_suite/LINUXGHGUI.org/partial.out @@ -363,8 +363,8 @@ LS-scale= 6.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.71E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 5.71E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 6E-04 S/ESD 1 1 -0.192 0.0E+00 0.182E-01 -10.60 SCALE [14] S/ESD 52 52 -0.033 0.0E+00 0.22 E-01 -1.4 C 5 U[33] [14] S/ESD 54 54 -0.013 0.0E+00 0.12 E-01 -1.1 C 5 U[13] @@ -430,12 +430,12 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.028 0.044 +[31] 0.044 0.028 0.044 [70] Maximum 0. 0.00 0.00 0.01 0.01 0.01 0.13 0.05 0.11 0.08 0.03 0.10 -[31] 0.189 0.127 0.136 +[31] 0.189 0.128 0.137 [03] Reversals @@ -480,167 +480,167 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.01 0.01 -[31] 0.030 0.031 0.025 +[31] 0.030 0.031 0.025 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.028 0.039 +[31] 0.033 0.028 0.040 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.029 0.033 +[31] 0.035 0.029 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 -[31] 0.028 0.040 0.043 +[31] 0.028 0.040 0.044 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.025 0.039 +[31] 0.033 0.026 0.040 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.03 -[31] 0.040 0.043 0.031 +[31] 0.041 0.044 0.032 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.036 0.025 0.049 +[31] 0.036 0.025 0.050 [37] C 13. 1.00 0.00 -0.16 -0.29 0.04 0.65 [37] 0.00 0.01 -0.01 0.00 0.13 0.05 0.00 -0.01 0.02 -0.10 [37] 0.00 0.00 0.00 0.00 0.10 0.08 0.03 0.04 0.05 0.08 -[31] 0.083 0.063 0.052 +[31] 0.083 0.064 0.052 [37] C 14. 1.00 0.00 -0.34 0.00 -0.11 0.12 [37] 0.00 0.00 0.00 -0.01 0.00 0.02 0.11 -0.08 0.03 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.07 0.06 0.04 0.03 -[31] 0.047 0.053 0.074 +[31] 0.048 0.053 0.075 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.13 [37] 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.040 0.027 0.049 +[31] 0.040 0.028 0.050 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.024 +[31] 0.028 0.022 0.025 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.021 +[31] 0.022 0.017 0.021 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.016 0.022 +[31] 0.022 0.017 0.022 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.017 0.021 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.022 0.018 0.025 +[31] 0.022 0.018 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -[31] 0.023 0.018 0.027 +[31] 0.023 0.018 0.027 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.017 0.023 +[31] 0.022 0.017 0.024 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.016 0.020 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.016 0.021 +[31] 0.021 0.017 0.021 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.025 0.022 0.025 +[31] 0.025 0.023 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.025 0.023 0.024 +[31] 0.026 0.024 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.026 0.031 +[31] 0.028 0.026 0.032 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.028 0.024 0.032 +[31] 0.028 0.024 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.024 0.033 +[31] 0.033 0.025 0.034 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.023 0.028 +[31] 0.030 0.023 0.029 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.027 0.019 0.032 +[31] 0.028 0.020 0.032 [37] C 122. 1.00 0.00 0.26 0.31 -0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.024 0.018 0.026 +[31] 0.025 0.019 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.024 0.029 +[31] 0.030 0.024 0.030 [37] C 124. 1.00 0.00 0.54 -0.54 0.58 0.14 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.03 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.023 0.036 +[31] 0.033 0.023 0.036 [37] O 109. 1.00 0.00 0.50 -0.41 0.58 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.014 0.019 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.014 +[31] 0.016 0.012 0.015 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.019 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.043 0.091 0.464 0.199 0.122 0.977 Might be split @@ -728,8 +728,8 @@ LS-scale= 6.236 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.30E-04 +[80a] Block No 1. Single precision relative error: 8E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8E-04 S/ESD 1 1 0.022 -0.1E+00 0.160E-01 1.36 SCALE [14a] LARGE 77 77 0.060 0.4E+00 0.10 E+00 0.5 C 13 U[11] [14] S/ESD 230 230 0.011 -0.5E+00 0.97 E-02 1.1 C 120 U[11] @@ -776,12 +776,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.011 0.009 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.06 0.03 0.02 0.01 0.01 0.04 -[31] 0.053 0.032 0.055 +[31] 0.053 0.032 0.055 [03] Reversals @@ -826,167 +826,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.028 0.021 +[31] 0.028 0.028 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.027 0.039 +[31] 0.033 0.027 0.039 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.030 0.033 +[31] 0.036 0.030 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 -[31] 0.026 0.038 0.038 +[31] 0.026 0.038 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.022 0.031 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.029 +[31] 0.038 0.042 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.023 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.71 [37] 0.00 0.00 0.00 0.00 0.06 0.03 0.00 0.00 0.00 -0.04 [37] 0.00 0.00 0.00 0.00 0.10 0.07 0.02 0.03 0.04 0.08 -[31] 0.084 0.061 0.047 +[31] 0.084 0.061 0.047 [37] C 14. 1.00 0.00 -0.34 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.08 0.06 0.04 0.03 -[31] 0.043 0.050 0.074 +[31] 0.043 0.051 0.074 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.046 +[31] 0.038 0.026 0.046 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.020 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.019 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.023 0.029 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.030 +[31] 0.027 0.022 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.031 +[31] 0.032 0.022 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.027 0.018 0.031 +[31] 0.027 0.019 0.031 [37] C 122. 1.00 0.00 0.26 0.31 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.017 0.026 +[31] 0.023 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.020 0.027 +[31] 0.028 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.15 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.033 0.020 0.037 +[31] 0.034 0.020 0.037 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.094 0.446 0.197 0.128 0.835 Might be split @@ -1074,8 +1074,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.06E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9.06E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1119,12 +1119,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.005 +[31] 0.005 0.003 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 -[31] 0.019 0.013 0.016 +[31] 0.020 0.013 0.017 [03] Reversals @@ -1169,167 +1169,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.028 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.028 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.038 0.039 +[31] 0.025 0.038 0.040 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.023 0.033 +[31] 0.030 0.024 0.034 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.042 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.047 +[31] 0.035 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.063 0.048 +[31] 0.088 0.064 0.048 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.04 0.03 -[31] 0.046 0.051 0.078 +[31] 0.046 0.051 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.026 0.047 +[31] 0.039 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.016 0.022 +[31] 0.021 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.026 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.022 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.022 0.032 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.021 0.026 +[31] 0.027 0.021 0.026 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.021 0.039 +[31] 0.035 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.049 0.095 0.447 0.197 0.128 0.859 Might be split @@ -1417,8 +1417,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.99E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.99E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1459,15 +1459,15 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.004 +[31] 0.002 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -[31] 0.006 0.005 0.018 +[31] 0.007 0.006 0.018 [03] Reversals @@ -1512,167 +1512,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.027 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.029 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.025 0.038 0.038 +[31] 0.025 0.039 0.039 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.023 0.032 +[31] 0.030 0.024 0.033 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.041 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.12 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.064 0.048 +[31] 0.089 0.064 0.049 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.046 0.052 0.080 +[31] 0.047 0.052 0.080 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.027 0.046 +[31] 0.040 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.025 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.022 0.024 +[31] 0.025 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.031 +[31] 0.028 0.022 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.021 0.031 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.021 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.036 0.021 0.041 +[31] 0.036 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.095 0.445 0.197 0.128 0.837 Might be split @@ -2418,8 +2418,8 @@ LS-scale= 6.259 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.90E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.90E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2459,12 +2459,12 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.005 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.00 -[31] 0.015 0.009 0.009 +[31] 0.016 0.009 0.009 [03] Reversals @@ -2509,167 +2509,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.025 0.034 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.037 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.031 +[31] 0.029 0.023 0.032 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.01 0.02 0.01 -[31] 0.033 0.022 0.046 +[31] 0.033 0.023 0.046 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.045 0.049 0.076 +[31] 0.046 0.050 0.077 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.038 0.026 0.044 +[31] 0.038 0.026 0.045 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.025 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.023 0.021 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.022 0.027 +[31] 0.025 0.023 0.027 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.026 0.021 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.030 +[31] 0.031 0.021 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.025 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.020 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.825 Might be split @@ -2757,8 +2757,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.76E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.76E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2799,15 +2799,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.011 +[31] 0.005 0.003 0.011 [03] Reversals @@ -2852,167 +2852,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.034 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.037 0.037 +[31] 0.024 0.037 0.037 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.030 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.046 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.020 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.833 Might be split @@ -3100,8 +3100,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.95E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.95E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3142,15 +3142,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.004 0.002 0.005 [03] Reversals @@ -3195,167 +3195,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.029 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.062 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.047 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split @@ -3443,8 +3443,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.77E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.77E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3481,15 +3481,15 @@ All cycle Rw 0.0 15. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.002 0.005 [03] Reversals @@ -3534,167 +3534,167 @@ All cycle Rw 0.0 15. 0.10E+03 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.037 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.046 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.10 0.06 0.05 0.03 -[31] 0.047 0.048 0.078 +[31] 0.047 0.049 0.079 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.021 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split diff --git a/test_suite/LINUXGHGUI.org/sgd464.out b/test_suite/LINUXGHGUI.org/sgd464.out index 725e8b40d..c8bf857f0 100644 --- a/test_suite/LINUXGHGUI.org/sgd464.out +++ b/test_suite/LINUXGHGUI.org/sgd464.out @@ -172,10 +172,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.7 0.0E+00 0.2 E+01 -0.3 ENANTIO [14] S/ESD 6 6 -0.018 0.0E+00 0.11 E-01 -1.7 CL 1 U[11] [14] S/ESD 24 24 0.021 0.0E+00 0.19 E-01 1.1 CL 3 U[11] @@ -218,15 +218,15 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [38] Mean -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.05 0.02 0.01 0.01 -[31] 0.010 0.016 0.015 +[31] 0.011 0.016 0.015 [03] Reversals @@ -271,147 +271,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.028 +[31] 0.030 0.030 0.028 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.099 0.096 0.090 +[31] 0.099 0.097 0.091 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.05 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.02 0.01 -[31] 0.040 0.040 0.052 +[31] 0.040 0.041 0.052 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.01 [37] 0.00 0.00 0.00 0.00 0.04 0.01 0.01 0.01 0.02 0.02 -[31] 0.049 0.044 0.035 +[31] 0.050 0.044 0.035 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.040 0.048 0.037 +[31] 0.040 0.049 0.038 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.061 0.054 +[31] 0.058 0.061 0.054 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.058 0.058 +[31] 0.060 0.059 0.059 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.043 0.044 +[31] 0.044 0.043 0.045 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.03 0.02 0.02 0.02 -[31] 0.068 0.061 0.064 +[31] 0.068 0.062 0.064 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.041 0.048 0.040 +[31] 0.042 0.049 0.040 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.060 0.061 0.061 +[31] 0.061 0.061 0.062 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.048 +[31] 0.049 0.053 0.049 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.062 0.055 +[31] 0.059 0.062 0.055 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.064 0.068 0.063 +[31] 0.065 0.069 0.063 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.045 0.045 0.045 +[31] 0.046 0.046 0.046 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.060 0.067 0.062 +[31] 0.061 0.067 0.063 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.061 0.066 0.060 +[31] 0.061 0.067 0.061 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.03 0.02 0.03 -[31] 0.066 0.075 0.068 +[31] 0.066 0.076 0.068 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.081 0.086 0.075 +[31] 0.082 0.086 0.075 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.078 0.086 0.073 +[31] 0.078 0.087 0.074 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.081 0.079 0.088 +[31] 0.082 0.079 0.088 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.065 0.069 0.070 +[31] 0.066 0.069 0.070 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.08 0.03 0.04 0.02 0.04 -[31] 0.076 0.110 0.069 +[31] 0.076 0.111 0.069 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.02 0.03 0.02 0.03 -[31] 0.067 0.081 0.061 +[31] 0.068 0.081 0.062 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.03 0.03 0.02 0.03 -[31] 0.068 0.076 0.074 +[31] 0.069 0.076 0.074 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.05 0.04 0.04 0.03 0.04 -[31] 0.073 0.098 0.078 +[31] 0.073 0.099 0.079 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.02 0.03 -[31] 0.077 0.093 0.066 +[31] 0.077 0.094 0.067 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.03 0.03 0.03 0.04 -[31] 0.089 0.087 0.074 +[31] 0.090 0.088 0.075 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.04 -[31] 0.077 0.091 0.071 +[31] 0.077 0.092 0.072 [84] Mean C-C su = 0.07 #CYCLENDS #SFLS @@ -495,10 +495,10 @@ LS-scale= 0.437 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+00 0.2 E+00 0.3 ENANTIO [14] S/ESD 24 24 0.010 0.5E+00 0.23 E-02 4.2 CL 3 U[11] [14] S/ESD 26 26 0.011 -0.2E+00 0.32 E-02 3.4 CL 3 U[33] @@ -538,15 +538,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.008 [03] Reversals @@ -591,147 +591,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -815,10 +815,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.6E+00 0.2 E+00 -0.2 ENANTIO for 263 parameters @@ -856,15 +856,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -909,147 +909,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1133,10 +1133,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -1177,12 +1177,12 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1227,147 +1227,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1451,10 +1451,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -1492,15 +1492,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1545,147 +1545,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -1703,16 +1703,16 @@ ___________ Atom CL(1), basis: CL(1),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.0 Uc[2,3]==0 Atom CL(3), basis: CL(3),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom CL(4), basis: CL(4),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -1872,8 +1872,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.81E-04 +[80a] Block No 1. Single precision relative error: 10E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 10E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+00 -0.2 ENANTIO [14] S/ESD 168 168 -0.011 0.0E+00 0.89 E-02 -1.2 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.75 E-02 1.8 C 19 U[33] @@ -1918,12 +1918,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.011 0.013 0.015 +[31] 0.011 0.013 0.016 [03] Reversals @@ -1968,147 +1968,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.021 0.020 0.019 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.010 +[31] 0.008 0.008 0.011 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.007 +[31] 0.010 0.009 0.007 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.013 +[31] 0.014 0.013 0.013 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.014 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.018 0.016 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.018 0.015 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.018 +[31] 0.017 0.016 0.018 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.022 0.014 +[31] 0.016 0.023 0.014 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.014 0.017 0.013 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.016 +[31] 0.015 0.020 0.016 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.019 0.014 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.015 +[31] 0.018 0.018 0.015 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.014 +[31] 0.016 0.019 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2192,10 +2192,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.15E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2.15E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -2233,15 +2233,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -2286,147 +2286,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2510,8 +2510,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.05E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.05E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 0.4E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -2552,12 +2552,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2602,147 +2602,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2826,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.07E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 -0.0 -0.5E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -2865,15 +2865,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2918,147 +2918,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3142,8 +3142,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.15E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.15E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 -0.2E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -3184,12 +3184,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.004 +[31] 0.002 0.004 0.004 [03] Reversals @@ -3234,147 +3234,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -3392,12 +3392,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -3557,10 +3557,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.73E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.23E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.23E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.11 E-01 1.1 C 19 U[33] [14] S/ESD 213 213 0.015 0.0E+00 0.80 E-02 1.8 C 24 U[11] @@ -3604,12 +3604,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.015 +[31] 0.011 0.014 0.015 [03] Reversals @@ -3654,147 +3654,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.029 +[31] 0.032 0.031 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.014 0.011 +[31] 0.016 0.015 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.019 0.019 0.019 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.020 +[31] 0.022 0.020 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.013 +[31] 0.013 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.015 +[31] 0.016 0.017 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.020 +[31] 0.020 0.022 0.020 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.019 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.025 0.022 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.028 0.024 +[31] 0.026 0.028 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.028 0.024 +[31] 0.025 0.028 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.025 0.028 +[31] 0.027 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.022 +[31] 0.021 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.024 0.036 0.022 +[31] 0.025 0.036 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.022 0.026 0.020 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.024 0.024 +[31] 0.022 0.025 0.024 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.025 +[31] 0.024 0.032 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.025 0.030 0.021 +[31] 0.025 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.028 0.024 +[31] 0.029 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.023 +[31] 0.025 0.030 0.023 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -3878,10 +3878,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.83E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.41E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.41E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -3922,12 +3922,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -3972,147 +3972,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4196,10 +4196,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.38E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.38E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.5E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4237,15 +4237,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.005 +[31] 0.003 0.003 0.005 [03] Reversals @@ -4290,147 +4290,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4514,10 +4514,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.91E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.55E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.55E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -4555,15 +4555,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -4608,147 +4608,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4832,10 +4832,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.82E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.39E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.39E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4876,12 +4876,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -4926,147 +4926,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -5084,12 +5084,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.0 Uc[2,3]=0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.0 Uc[2,3]=0 ___________ (1) NO ___________ @@ -5271,10 +5271,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.59E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.96E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.96E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 234 234 -0.022 0.0E+00 0.42 E-02 -5.2 C 26 U[23] [14] S/ESD 252 252 0.013 0.0E+00 0.38 E-02 3.4 C 28 U[23] @@ -5318,12 +5318,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.02 0.00 0.01 -[31] 0.009 0.013 0.015 +[31] 0.010 0.013 0.016 [03] Reversals @@ -5368,147 +5368,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.071 0.069 0.065 +[31] 0.072 0.070 0.066 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.03 0.01 0.01 0.01 -[31] 0.028 0.029 0.037 +[31] 0.029 0.029 0.038 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.02 -[31] 0.035 0.032 0.025 +[31] 0.036 0.032 0.025 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.035 0.027 +[31] 0.029 0.035 0.027 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.044 0.039 +[31] 0.042 0.044 0.039 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.042 0.042 +[31] 0.043 0.042 0.042 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.031 0.032 +[31] 0.032 0.031 0.032 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.049 0.044 0.046 +[31] 0.049 0.044 0.046 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.035 0.029 +[31] 0.030 0.035 0.029 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.044 0.044 +[31] 0.044 0.044 0.045 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.038 0.035 +[31] 0.035 0.038 0.035 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.045 0.039 +[31] 0.043 0.045 0.040 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.046 0.049 0.045 +[31] 0.047 0.050 0.046 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.033 +[31] 0.033 0.033 0.033 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.048 0.045 +[31] 0.044 0.048 0.045 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.044 0.048 0.043 +[31] 0.044 0.048 0.044 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.054 0.049 +[31] 0.048 0.055 0.049 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.062 0.054 +[31] 0.059 0.062 0.055 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.056 0.062 0.053 +[31] 0.057 0.063 0.053 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.057 0.063 +[31] 0.059 0.057 0.064 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.047 0.050 0.050 +[31] 0.048 0.050 0.051 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.03 -[31] 0.055 0.080 0.049 +[31] 0.055 0.080 0.050 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.00 0.00 -[31] 0.048 0.058 0.044 +[31] 0.049 0.059 0.045 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.049 0.054 0.053 +[31] 0.050 0.055 0.054 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.052 0.071 0.056 +[31] 0.053 0.071 0.057 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.01 0.00 -[31] 0.055 0.067 0.048 +[31] 0.056 0.068 0.048 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.00 0.01 0.00 -[31] 0.064 0.063 0.054 +[31] 0.065 0.063 0.054 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.055 0.066 0.052 +[31] 0.056 0.066 0.052 [84] Mean C-C su = 0.05 #CYCLENDS #SFLS @@ -5592,10 +5592,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.48E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.75E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.75E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.2 ENANTIO for 263 parameters @@ -5636,12 +5636,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.006 +[31] 0.006 0.005 0.007 [03] Reversals @@ -5686,147 +5686,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5910,10 +5910,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.57E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.92E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.92E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -5951,15 +5951,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -6004,147 +6004,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6228,10 +6228,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.54E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.86E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.86E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6272,12 +6272,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -6322,147 +6322,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.008 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6546,10 +6546,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.26E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.26E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.8E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6587,15 +6587,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -6640,147 +6640,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.010 0.011 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.009 +[31] 0.010 0.014 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -6798,34 +6798,34 @@ ___________ Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.0 Ul_13 = 0.0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-07 0E+00 4E-07 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 4E-07 0E+00 4E-07 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.0 Ul_13 = 0.0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-06 0E+00 8E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 8E-06 0E+00 8E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_13 = 0.0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-06 0E+00 7E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 7E-06 0E+00 7E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.0 Ul_13 = 0.0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_13 = 0.0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.0 Ul_13 = 0.0 ___________ (1) NO ___________ @@ -6987,8 +6987,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3.35E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.2 E+00 -0.4 ENANTIO [14] S/ESD 168 168 -0.010 0.0E+00 0.53 E-02 -2.0 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.45 E-02 2.9 C 19 U[33] @@ -7034,12 +7034,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.016 +[31] 0.010 0.013 0.017 [03] Reversals @@ -7084,147 +7084,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7308,8 +7308,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -7347,15 +7347,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.004 0.006 [03] Reversals @@ -7400,147 +7400,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7624,8 +7624,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4.39E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -7663,15 +7663,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -7716,147 +7716,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7940,8 +7940,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.3E+01 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -7979,15 +7979,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -8032,147 +8032,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8256,8 +8256,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -8298,12 +8298,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8348,147 +8348,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -8506,14 +8506,14 @@ ___________ Atom C(7), basis: C(7),C(9) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 Atom C(9), basis: C(9),C(11) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 ___________ (1) NO ___________ @@ -8690,8 +8690,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.85E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.85E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 213 213 0.021 0.0E+00 0.64 E-03 32.9 C 24 U[11] [14] S/ESD 232 232 -0.022 0.0E+00 0.65 E-03 -34.8 C 26 U[22] @@ -8735,12 +8735,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.00 0.01 -[31] 0.012 0.016 0.015 +[31] 0.012 0.016 0.015 [03] Reversals @@ -8785,147 +8785,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.019 0.018 +[31] 0.019 0.020 0.018 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.03 -[31] 0.064 0.062 0.058 +[31] 0.064 0.062 0.059 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.025 0.026 0.033 +[31] 0.026 0.026 0.034 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.031 0.028 0.022 +[31] 0.032 0.029 0.023 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.031 0.024 +[31] 0.026 0.032 0.024 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.037 0.039 0.034 +[31] 0.038 0.040 0.035 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.037 0.037 +[31] 0.038 0.038 0.038 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.027 0.028 +[31] 0.028 0.028 0.029 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.039 0.041 +[31] 0.044 0.040 0.041 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.031 0.026 +[31] 0.027 0.031 0.026 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.039 0.039 0.039 +[31] 0.039 0.039 0.040 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.034 0.031 +[31] 0.032 0.034 0.032 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.040 0.035 +[31] 0.038 0.040 0.036 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.041 0.044 0.040 +[31] 0.042 0.044 0.041 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.030 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.040 +[31] 0.039 0.043 0.041 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.039 +[31] 0.039 0.043 0.039 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.048 0.044 +[31] 0.043 0.049 0.044 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.052 0.055 0.048 +[31] 0.052 0.056 0.049 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.050 0.055 0.047 +[31] 0.051 0.056 0.048 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.052 0.051 0.056 +[31] 0.053 0.051 0.057 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.044 0.045 +[31] 0.043 0.045 0.045 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.02 -[31] 0.049 0.071 0.044 +[31] 0.049 0.071 0.044 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.043 0.052 0.039 +[31] 0.044 0.052 0.040 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.044 0.048 0.047 +[31] 0.044 0.049 0.048 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.047 0.063 0.050 +[31] 0.047 0.063 0.051 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.060 0.043 +[31] 0.050 0.060 0.043 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.057 0.056 0.048 +[31] 0.058 0.057 0.048 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.059 0.046 +[31] 0.050 0.059 0.046 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -9009,8 +9009,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9051,12 +9051,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.006 [03] Reversals @@ -9101,147 +9101,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9325,8 +9325,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 0.6E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9364,15 +9364,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [03] Reversals @@ -9417,147 +9417,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9641,8 +9641,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.2E+02 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -9680,15 +9680,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.003 [03] Reversals @@ -9733,147 +9733,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9957,8 +9957,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.81E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.81E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -9996,15 +9996,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -10049,147 +10049,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -10208,28 +10208,28 @@ CONT C(26) TO C(27) TO C(28) Atom C(24), basis: C(24),C(25),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.0 U13_local - == 0 Atom C(25), basis: C(25),C(26),C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.0 U13_local - == 0 Atom C(26), basis: C(26),C(27),C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.0 U13_local - == 0 ___________ (1) NO ___________ @@ -10397,10 +10397,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.98E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.69E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.69E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 9 9 -0.012 0.0E+00 0.49 E-02 -2.5 CL 1 U[23] @@ -10442,12 +10442,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.011 0.012 0.018 +[31] 0.011 0.012 0.018 [03] Reversals @@ -10492,147 +10492,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.024 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.045 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -10716,10 +10716,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.4E+00 0.3 E+00 0.1 ENANTIO for 263 parameters @@ -10760,12 +10760,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -10810,147 +10810,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.017 0.017 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.007 0.007 0.009 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.006 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.007 0.009 0.007 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.012 0.011 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.013 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.013 0.016 0.014 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.013 0.013 0.015 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.012 +[31] 0.013 0.020 0.012 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.011 +[31] 0.012 0.014 0.011 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.012 0.013 0.013 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.013 +[31] 0.013 0.018 0.013 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.012 +[31] 0.014 0.016 0.012 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.012 +[31] 0.015 0.016 0.013 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.017 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11034,10 +11034,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.20E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.20E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.1E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -11078,12 +11078,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -11128,147 +11128,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.013 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.007 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.007 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.016 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.013 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11352,10 +11352,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.44E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.68E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.68E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.9E+01 0.6 E+00 0.0 ENANTIO [14] S/ESD 11 11 -0.012 -0.9E+01 0.41 E-02 -2.8 CL 1 U[12] @@ -11397,12 +11397,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.004 0.006 0.002 +[31] 0.005 0.006 0.003 [03] Reversals @@ -11447,147 +11447,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.031 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.012 0.012 0.016 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.015 0.014 0.011 +[31] 0.015 0.014 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.017 +[31] 0.019 0.020 0.017 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.020 0.020 0.018 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.020 0.020 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.017 0.015 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.021 0.021 0.019 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.021 0.020 +[31] 0.021 0.021 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.019 0.020 0.019 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.028 0.026 +[31] 0.024 0.029 0.026 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.026 0.023 +[31] 0.026 0.027 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.025 0.026 +[31] 0.025 0.025 0.026 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.023 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.023 0.036 0.022 +[31] 0.024 0.037 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.023 0.024 +[31] 0.023 0.024 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.024 +[31] 0.024 0.032 0.024 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.026 0.029 0.021 +[31] 0.026 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.029 0.023 +[31] 0.028 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -11671,10 +11671,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.74E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.4E+01 0.7 E+00 -0.0 ENANTIO for 263 parameters @@ -11712,15 +11712,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.004 [03] Reversals @@ -11765,147 +11765,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.010 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.035 0.033 0.032 +[31] 0.035 0.034 0.033 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.014 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.012 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.013 +[31] 0.014 0.017 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.020 0.021 0.019 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.020 +[31] 0.022 0.021 0.020 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.016 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.021 +[31] 0.023 0.022 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.015 0.017 0.014 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.022 +[31] 0.022 0.022 0.022 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.017 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.022 0.023 0.020 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.022 +[31] 0.022 0.022 0.022 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.022 0.024 0.022 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.023 0.026 0.024 +[31] 0.023 0.027 0.025 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.027 +[31] 0.026 0.031 0.028 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.028 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.027 0.027 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.023 0.025 +[31] 0.024 0.024 0.025 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.03 0.01 0.01 0.00 0.01 -[31] 0.026 0.039 0.024 +[31] 0.026 0.040 0.024 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.028 0.022 +[31] 0.024 0.029 0.022 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.026 +[31] 0.025 0.025 0.026 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.025 0.034 0.026 +[31] 0.025 0.035 0.027 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.031 0.023 +[31] 0.028 0.032 0.024 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.031 0.026 +[31] 0.030 0.032 0.026 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.033 0.026 +[31] 0.028 0.033 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SET MONITOR ON @@ -11929,14 +11929,14 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 ___________ (1) NO ___________ @@ -12110,8 +12110,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.13E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.13E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+01 -0.0 ENANTIO [14] S/ESD 6 6 -0.014 0.0E+00 0.22 E-02 -6.4 CL 1 U[11] [14] S/ESD 9 9 -0.026 0.0E+00 0.13 E-02 -19.7 CL 1 U[23] @@ -12160,12 +12160,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.04 0.06 0.02 0.04 0.01 -[31] 0.013 0.018 0.021 +[31] 0.014 0.018 0.022 [03] Reversals @@ -12210,147 +12210,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.063 0.058 +[31] 0.062 0.064 0.059 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.12 0.12 0.10 0.09 0.09 0.10 -[31] 0.207 0.201 0.190 +[31] 0.207 0.202 0.190 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.03 0.04 -0.06 -0.02 0.04 0.00 [37] 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.085 0.109 +[31] 0.084 0.085 0.110 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.08 0.06 0.04 0.04 0.05 0.06 -[31] 0.103 0.093 0.073 +[31] 0.104 0.093 0.074 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.03 0.04 -[31] 0.084 0.102 0.079 +[31] 0.084 0.102 0.079 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.122 0.128 0.113 +[31] 0.122 0.129 0.113 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.124 0.123 0.122 +[31] 0.125 0.123 0.123 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.092 0.090 0.093 +[31] 0.092 0.090 0.094 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.07 0.05 0.06 0.04 0.05 0.05 -[31] 0.142 0.129 0.134 +[31] 0.143 0.129 0.134 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.04 0.03 0.04 -[31] 0.087 0.102 0.084 +[31] 0.087 0.102 0.085 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.04 0.05 0.04 -[31] 0.127 0.128 0.129 +[31] 0.127 0.128 0.130 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.03 0.04 -[31] 0.102 0.110 0.102 +[31] 0.103 0.111 0.102 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.123 0.130 0.115 +[31] 0.123 0.131 0.115 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.135 0.144 0.132 +[31] 0.136 0.144 0.132 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.05 0.04 0.04 0.04 -[31] 0.096 0.095 0.096 +[31] 0.096 0.096 0.096 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.127 0.140 0.131 +[31] 0.127 0.140 0.132 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.05 0.04 0.05 -[31] 0.127 0.140 0.127 +[31] 0.128 0.140 0.127 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.07 0.06 0.05 0.06 -[31] 0.138 0.158 0.143 +[31] 0.139 0.158 0.143 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.09 0.09 0.07 0.07 0.06 0.07 -[31] 0.170 0.181 0.158 +[31] 0.171 0.181 0.158 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.07 -[31] 0.164 0.181 0.154 +[31] 0.164 0.181 0.155 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.09 0.10 0.07 0.07 0.07 -[31] 0.171 0.166 0.184 +[31] 0.172 0.166 0.184 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.07 0.06 0.05 0.05 -[31] 0.138 0.145 0.146 +[31] 0.138 0.145 0.147 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.01 0.02 0.01 0.08 0.17 0.06 0.08 0.05 0.09 -[31] 0.159 0.232 0.144 +[31] 0.160 0.232 0.145 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.10 0.06 0.06 0.05 0.06 -[31] 0.141 0.169 0.129 +[31] 0.142 0.170 0.130 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.08 0.07 0.06 0.06 -[31] 0.144 0.159 0.155 +[31] 0.144 0.159 0.156 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.11 0.09 0.09 0.06 0.08 -[31] 0.153 0.206 0.165 +[31] 0.154 0.207 0.165 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.11 0.06 0.07 0.05 0.08 -[31] 0.161 0.196 0.140 +[31] 0.162 0.196 0.140 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.10 0.09 0.07 0.07 0.07 0.08 -[31] 0.187 0.183 0.156 +[31] 0.188 0.184 0.157 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.08 -[31] 0.161 0.191 0.150 +[31] 0.162 0.192 0.151 [84] Mean C-C su = 0.15 #CYCLENDS #SFLS @@ -12434,8 +12434,8 @@ LS-scale= 0.447 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -12476,12 +12476,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.010 0.007 0.006 [03] Reversals @@ -12526,147 +12526,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.014 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12750,8 +12750,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -12792,12 +12792,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -12842,147 +12842,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13066,8 +13066,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.8E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -13105,15 +13105,15 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -13158,147 +13158,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13382,8 +13382,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -13424,12 +13424,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.001 0.004 [03] Reversals @@ -13474,147 +13474,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -13638,20 +13638,20 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 -5E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 -5E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 -2E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 -2E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 ___________ (1) NO ___________ @@ -13809,8 +13809,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.06E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.06E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.014 0.0E+00 0.84 E-02 1.7 CL 1 U[11] [14] S/ESD 7 7 0.019 0.0E+00 0.69 E-02 2.8 CL 1 U[22] @@ -13856,12 +13856,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.013 0.017 0.019 +[31] 0.014 0.017 0.020 [03] Reversals @@ -13906,147 +13906,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.025 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.046 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -14130,8 +14130,8 @@ LS-scale= 0.444 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.1E+01 0.2 E+00 0.6 ENANTIO for 263 parameters @@ -14172,12 +14172,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.010 0.006 [03] Reversals @@ -14222,147 +14222,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14446,8 +14446,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.80E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.1E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -14485,15 +14485,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -14538,147 +14538,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14762,8 +14762,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.73E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.73E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -14801,15 +14801,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -14854,147 +14854,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.013 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15078,8 +15078,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -15120,12 +15120,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -15170,147 +15170,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -15328,10 +15328,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 1.0 U_geom = _geom Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 1E-04 1.0 U_geom = _geom ___________ (1) NO ___________ @@ -15489,8 +15489,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.07E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 S/ESD 1 1 0.012 0.0E+00 0.691E-02 1.73 SCALE [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.024 0.0E+00 0.95 E-02 2.5 CL 1 U[11] @@ -15538,12 +15538,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.04 0.01 0.01 0.01 -[31] 0.014 0.018 0.018 +[31] 0.014 0.019 0.019 [03] Reversals @@ -15588,147 +15588,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.018 0.018 0.017 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.058 0.054 +[31] 0.060 0.058 0.055 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 -0.04 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.031 +[31] 0.024 0.025 0.032 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.026 0.021 +[31] 0.030 0.027 0.021 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.029 0.022 +[31] 0.024 0.029 0.023 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.032 +[31] 0.035 0.037 0.033 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.035 0.035 +[31] 0.036 0.035 0.035 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.026 0.027 +[31] 0.026 0.026 0.027 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.041 0.037 0.038 +[31] 0.041 0.037 0.039 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.024 +[31] 0.025 0.029 0.024 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.036 0.037 +[31] 0.037 0.037 0.037 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.029 +[31] 0.029 0.032 0.029 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.033 +[31] 0.035 0.037 0.033 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.041 0.038 +[31] 0.039 0.041 0.038 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.027 0.027 +[31] 0.028 0.028 0.028 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.037 +[31] 0.036 0.040 0.038 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.036 +[31] 0.037 0.040 0.036 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.045 0.041 +[31] 0.040 0.046 0.041 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.045 +[31] 0.049 0.052 0.045 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.052 0.044 +[31] 0.047 0.052 0.044 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.047 0.053 +[31] 0.049 0.048 0.053 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.041 0.042 +[31] 0.040 0.042 0.042 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.045 0.066 0.041 +[31] 0.046 0.067 0.042 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.048 0.037 +[31] 0.041 0.049 0.037 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.041 0.045 0.044 +[31] 0.042 0.046 0.045 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.044 0.059 0.047 +[31] 0.044 0.059 0.048 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.02 0.01 0.02 -[31] 0.046 0.056 0.040 +[31] 0.046 0.056 0.040 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.02 0.02 0.02 -[31] 0.054 0.052 0.045 +[31] 0.054 0.053 0.045 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.046 0.055 0.043 +[31] 0.046 0.055 0.043 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -15812,8 +15812,8 @@ LS-scale= 0.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.77E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.77E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.7E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -15854,12 +15854,12 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.005 +[31] 0.007 0.008 0.005 [03] Reversals @@ -15904,147 +15904,147 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16128,8 +16128,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -16167,15 +16167,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -16220,147 +16220,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16444,8 +16444,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16483,15 +16483,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16536,147 +16536,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16760,8 +16760,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16802,12 +16802,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16852,147 +16852,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -17010,10 +17010,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 1.0 U_eq = _eq Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 1E-04 1.0 U_eq = _eq ___________ (1) NO ___________ @@ -17218,8 +17218,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.12 E-01 1.0 C 19 U[33] @@ -17261,12 +17261,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.009 0.012 0.017 +[31] 0.010 0.013 0.017 [03] Reversals @@ -17311,147 +17311,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.030 +[31] 0.033 0.032 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.011 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.013 0.016 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.020 0.020 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.015 0.015 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.021 +[31] 0.023 0.021 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.023 0.021 +[31] 0.022 0.023 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.022 0.025 0.022 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.027 0.029 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.029 0.024 +[31] 0.026 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.028 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.023 0.023 +[31] 0.022 0.023 0.024 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.025 0.037 0.023 +[31] 0.025 0.037 0.023 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.024 +[31] 0.023 0.025 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.032 0.026 +[31] 0.025 0.033 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.031 0.022 +[31] 0.026 0.031 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.025 +[31] 0.030 0.029 0.025 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -17535,8 +17535,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -17574,15 +17574,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.005 0.004 0.005 [03] Reversals @@ -17627,147 +17627,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17851,8 +17851,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.4E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -17893,12 +17893,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.002 0.002 0.004 [03] Reversals @@ -17943,147 +17943,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18167,8 +18167,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18206,15 +18206,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [03] Reversals @@ -18259,147 +18259,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18483,8 +18483,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -18525,12 +18525,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.001 0.003 [03] Reversals @@ -18575,147 +18575,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18799,8 +18799,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18838,15 +18838,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -18891,147 +18891,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19115,8 +19115,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19157,12 +19157,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -19207,147 +19207,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19431,8 +19431,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -19470,15 +19470,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19523,147 +19523,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19747,8 +19747,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19789,12 +19789,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19839,147 +19839,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20063,8 +20063,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.2E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -20102,15 +20102,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -20155,147 +20155,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -20318,52 +20318,52 @@ T tensor: Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.0 U13 - Utls13 == 0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.0 U13 - Utls13 == 0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.0 U13 - Utls13 == 0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.0 U13 - Utls13 == 0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.0 U13 - Utls13 == 0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.0 U13 - Utls13 == 0 ___________ (1) NO ___________ diff --git a/test_suite/LINUXGHGUI.org/shapering.out b/test_suite/LINUXGHGUI.org/shapering.out index f0ac25f7b..46d87f4dc 100644 --- a/test_suite/LINUXGHGUI.org/shapering.out +++ b/test_suite/LINUXGHGUI.org/shapering.out @@ -222,8 +222,8 @@ LS-scale= 6.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.066 0.0E+00 0.124E-01 5.32 SCALE [14] S/ESD 29 29 0.011 0.0E+00 0.78 E-02 1.4 C 13 Z @@ -265,12 +265,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.021 0.052 +[31] 0.038 0.022 0.052 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.076 0.043 0.102 +[31] 0.077 0.043 0.102 [03] Reversals @@ -315,62 +315,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.046 0.037 0.046 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.045 0.037 0.045 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.45 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.068 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 15. 0.42 1.00 -0.27 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0680 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -459,8 +459,8 @@ LS-scale= 6.358 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.08E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.08E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -501,15 +501,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.014 +[31] 0.019 0.019 0.015 [03] Reversals @@ -554,62 +554,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0548 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0016 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -698,8 +698,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.02E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -743,12 +743,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.008 [03] Reversals @@ -793,62 +793,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -937,8 +937,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.00E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.00E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -995,15 +995,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.005 0.002 +[31] 0.003 0.005 0.002 [03] Reversals @@ -1048,62 +1048,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1213,10 +1213,10 @@ LS-scale= 5.759 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.49E-12 -[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2.49E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2E-12 [13] LARGE 1 1 0.6 0.0E+00 0.1 E-01 32.5 SCALE [14] S/ESD 2 2 0.409 0.0E+00 0.60 E-01 6.7 C 1 OCC Composite @@ -1402,15 +1402,15 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [38] Mean 0.61 0.31 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.027 0.025 +[31] 0.032 0.028 0.026 [71] R.M.S. 0. 0.33 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.227 0.146 0.133 +[31] 0.227 0.147 0.134 [70] Maximum 0. 0.40 0.04 0.03 0.02 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.410 0.262 0.295 +[31] 0.410 0.262 0.295 [03] Reversals @@ -1455,62 +1455,62 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [37] C 1. 0.93 1.00 -0.13 -0.10 -0.29 0.10 [73] 0.40 -0.01 0.00 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 2. 0.93 1.00 -0.11 -0.20 -0.18 0.10 [73] 0.40 -0.00 0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.074 [37] C 3. 0.93 1.00 -0.19 -0.20 -0.10 0.10 [73] 0.40 -0.02 -0.02 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.075 +[31] 0.074 0.057 0.076 [37] C 4. 0.93 1.00 -0.26 -0.05 -0.17 0.10 [73] 0.40 -0.01 0.00 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.072 0.059 0.073 +[31] 0.072 0.059 0.074 [37] C 5. 0.93 1.00 -0.21 -0.01 -0.28 0.10 [73] 0.40 0.01 -0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.074 0.059 0.072 [37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 [73] 0.22 0.03 0.00 -0.01 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.199 0.161 0.200 +[31] 0.199 0.162 0.200 [37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 [73] 0.22 0.01 0.01 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.196 0.160 0.191 +[31] 0.196 0.160 0.192 [37] C 13. 0.54 1.00 -0.18 -0.26 0.04 0.11 [73] 0.22 -0.00 0.02 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.202 0.162 0.196 +[31] 0.202 0.162 0.197 [37] C 14. 0.54 1.00 -0.34 0.00 -0.09 0.11 [73] 0.22 -0.02 -0.01 -0.03 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.204 0.159 0.203 +[31] 0.205 0.160 0.203 [37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 [73] 0.22 0.03 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.201 0.158 0.199 +[31] 0.201 0.158 0.200 [37] C 100. 0.30 4.00 -0.15 -0.09 -0.18 0.05 -2.0452 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.30 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [37] C 200. 2.26 4.00 -0.15 -0.09 -0.19 0.06 -1.1286 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.23 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [84] Mean C-C su = 0.10 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1599,8 +1599,8 @@ LS-scale= 6.368 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.69E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.69E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.155 -0.4E+00 0.46 E-01 -3.3 C 1 OCC Composite @@ -1783,15 +1783,15 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [38] Mean 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.020 0.019 +[31] 0.024 0.020 0.019 [71] R.M.S. 0. 0.14 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.080 0.113 +[31] 0.084 0.080 0.114 [70] Maximum 0. 0.15 0.03 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.180 0.151 0.261 +[31] 0.181 0.151 0.261 [03] Reversals @@ -1836,62 +1836,62 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 0.78 1.00 -0.13 -0.10 -0.31 0.07 [73] -0.15 0.00 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 2. 0.78 1.00 -0.11 -0.21 -0.19 0.07 [73] -0.15 -0.00 -0.01 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.032 0.042 +[31] 0.044 0.033 0.043 [37] C 3. 0.78 1.00 -0.17 -0.18 -0.09 0.07 [73] -0.15 0.01 0.01 0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 4. 0.78 1.00 -0.25 -0.05 -0.17 0.07 [73] -0.15 0.00 -0.00 -0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.78 1.00 -0.22 0.00 -0.29 0.07 [73] -0.15 -0.01 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.034 0.041 +[31] 0.041 0.035 0.041 [37] C 11. 0.41 1.00 -0.07 -0.05 -0.44 0.10 [73] -0.13 0.00 0.00 0.02 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.070 0.056 0.069 [37] C 12. 0.41 1.00 0.00 -0.31 -0.14 0.10 [73] -0.13 0.00 -0.00 0.01 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.069 +[31] 0.071 0.058 0.070 [37] C 13. 0.41 1.00 -0.18 -0.25 0.04 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 14. 0.41 1.00 -0.33 0.00 -0.08 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.073 0.057 0.071 [37] C 15. 0.41 1.00 -0.24 0.15 -0.36 0.10 [73] -0.13 -0.00 0.01 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 100. 1.08 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.77 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.23 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.91 4.00 -0.17 -0.10 -0.20 0.05 [22] 0.65 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.15 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1980,8 +1980,8 @@ LS-scale= 6.366 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.97E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.97E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.226 0.1E+01 0.40 E-01 -5.5 C 1 OCC Composite @@ -2155,15 +2155,15 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [38] Mean 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.017 +[31] 0.021 0.018 0.017 [71] R.M.S. 0. 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.054 0.043 +[31] 0.072 0.054 0.044 [70] Maximum 0. 0.22 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.154 0.101 0.075 +[31] 0.155 0.102 0.075 [03] Reversals @@ -2208,62 +2208,62 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [37] C 1. 0.55 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.22 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 2. 0.55 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.22 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.033 +[31] 0.034 0.026 0.033 [37] C 3. 0.55 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.22 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.033 +[31] 0.033 0.026 0.033 [37] C 4. 0.55 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.22 0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 5. 0.55 1.00 -0.22 0.00 -0.29 0.06 [73] -0.22 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.03 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 [73] -0.03 0.00 0.01 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.076 +[31] 0.078 0.063 0.077 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.081 0.064 0.080 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.062 0.079 +[31] 0.080 0.063 0.079 [37] C 15. 0.38 1.00 -0.24 0.15 -0.36 0.09 [73] -0.03 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.079 +[31] 0.079 0.063 0.079 [37] C 100. 2.21 4.00 -0.17 -0.11 -0.20 0.03 [22] 1.13 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.20 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.15 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.13 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2352,8 +2352,8 @@ LS-scale= 6.361 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.039 0.2E+00 0.35 E-01 -1.0 C 1 OCC Composite @@ -2415,15 +2415,15 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [38] Mean 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.045 0.039 0.031 +[31] 0.046 0.039 0.032 [70] Maximum 0. 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.086 0.076 0.052 +[31] 0.086 0.076 0.053 [03] Reversals @@ -2468,62 +2468,62 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.042 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 4. 0.51 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.043 [37] C 5. 0.51 1.00 -0.21 0.00 -0.28 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.042 [37] C 11. 0.36 1.00 -0.08 -0.06 -0.45 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.36 1.00 0.01 -0.31 -0.14 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.36 1.00 -0.16 -0.25 0.05 0.09 [73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.062 0.077 [37] C 14. 0.36 1.00 -0.32 0.01 -0.07 0.09 [73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 15. 0.36 1.00 -0.25 0.14 -0.37 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.41 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.19 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.07 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2613,8 +2613,8 @@ LS-scale= 6.360 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.02E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.02E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2654,12 +2654,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.008 +[31] 0.012 0.014 0.009 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.031 0.019 +[31] 0.025 0.031 0.019 [03] Reversals @@ -2704,62 +2704,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.037 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.079 +[31] 0.081 0.065 0.080 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.079 0.064 0.078 [37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.082 0.065 0.080 [37] C 14. 0.37 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.063 0.080 +[31] 0.081 0.064 0.080 [37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.080 +[31] 0.081 0.064 0.080 [37] C 100. 2.50 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.09 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0466 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2848,8 +2848,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.93E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.93E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2893,12 +2893,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.009 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.026 0.015 +[31] 0.019 0.026 0.015 [03] Reversals @@ -2943,62 +2943,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.079 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.078 [37] C 100. 2.51 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 -0.0110 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3087,8 +3087,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -3148,12 +3148,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.004 +[31] 0.009 0.013 0.005 [03] Reversals @@ -3198,62 +3198,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.063 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.063 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0077 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3342,8 +3342,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.07E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.07E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3387,12 +3387,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.004 +[31] 0.007 0.010 0.004 [03] Reversals @@ -3437,62 +3437,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.076 +[31] 0.079 0.062 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.077 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0032 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3948,8 +3948,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.29E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.29E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3989,12 +3989,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.021 0.042 +[31] 0.032 0.022 0.043 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.056 0.038 0.082 +[31] 0.056 0.038 0.083 [03] Reversals @@ -4039,62 +4039,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.066 +[31] 0.068 0.054 0.066 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.068 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 100. 2.62 4.00 -0.17 -0.11 -0.20 0.03 -0.0594 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4183,8 +4183,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.12E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.12E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4225,15 +4225,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.006 +[31] 0.009 0.007 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.013 +[31] 0.019 0.014 0.013 [03] Reversals @@ -4278,62 +4278,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.071 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0517 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4422,8 +4422,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4464,15 +4464,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [03] Reversals @@ -4517,62 +4517,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4661,8 +4661,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4699,15 +4699,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -4752,62 +4752,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0043 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4917,8 +4917,8 @@ LS-scale= 6.870 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.30E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.30E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 S/ESD 1 1 -0.514 0.0E+00 0.171E-01 -30.07 SCALE [14] S/ESD 2 2 0.100 0.0E+00 0.36 E-01 2.7 C 1 OCC Composite @@ -5096,12 +5096,12 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.071 0.073 +[31] 0.062 0.071 0.073 [70] Maximum 0. 0.10 0.02 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.121 0.149 0.130 +[31] 0.121 0.149 0.130 [03] Reversals @@ -5146,62 +5146,62 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [37] C 1. 0.63 1.00 -0.14 -0.10 -0.30 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.046 [37] C 2. 0.63 1.00 -0.11 -0.20 -0.19 0.07 [73] 0.10 -0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.038 0.047 +[31] 0.047 0.039 0.047 [37] C 3. 0.63 1.00 -0.18 -0.19 -0.10 0.07 [73] 0.10 0.00 0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.046 +[31] 0.048 0.038 0.046 [37] C 4. 0.63 1.00 -0.25 -0.05 -0.16 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.046 +[31] 0.047 0.038 0.047 [37] C 5. 0.63 1.00 -0.22 -0.01 -0.28 0.07 [73] 0.10 -0.01 0.00 -0.01 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.048 +[31] 0.048 0.038 0.048 [37] C 11. 0.44 1.00 -0.11 -0.08 -0.46 0.09 [73] 0.06 -0.00 -0.01 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.070 0.088 +[31] 0.088 0.071 0.088 [37] C 12. 0.44 1.00 -0.02 -0.32 -0.16 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.088 0.070 0.086 +[31] 0.088 0.071 0.086 [37] C 13. 0.44 1.00 -0.19 -0.28 0.03 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.071 0.087 +[31] 0.088 0.071 0.087 [37] C 14. 0.44 1.00 -0.33 -0.01 -0.07 0.09 [73] 0.06 -0.00 -0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.070 0.089 +[31] 0.089 0.071 0.089 [37] C 15. 0.44 1.00 -0.28 0.12 -0.38 0.09 [73] 0.06 -0.00 0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.071 0.087 +[31] 0.089 0.071 0.087 [37] C 100. 1.81 4.00 -0.18 -0.12 -0.21 0.02 -0.5012 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [37] C 200. 2.79 4.00 -0.18 -0.12 -0.21 0.03 -0.3480 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.13 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5290,8 +5290,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.43E-04 +[80a] Block No 1. Single precision relative error: 1E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1E-04 [14] S/ESD 2 2 -0.112 -0.1E+01 0.34 E-01 -3.3 C 1 OCC Composite @@ -5446,12 +5446,12 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.027 0.039 +[31] 0.053 0.028 0.040 [70] Maximum 0. 0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.050 0.082 +[31] 0.079 0.051 0.083 [03] Reversals @@ -5496,62 +5496,62 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 0.52 1.00 -0.14 -0.10 -0.30 0.06 [73] -0.11 0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.52 1.00 -0.12 -0.20 -0.19 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 3. 0.52 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 4. 0.52 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.52 1.00 -0.22 -0.01 -0.28 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.11 -0.08 -0.46 0.10 [73] -0.01 0.00 0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.065 +[31] 0.066 0.053 0.066 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.17 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.064 +[31] 0.065 0.052 0.064 [37] C 13. 0.42 1.00 -0.20 -0.28 0.02 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.053 0.065 +[31] 0.066 0.053 0.065 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.066 +[31] 0.067 0.053 0.066 [37] C 15. 0.42 1.00 -0.27 0.11 -0.38 0.10 [73] -0.01 0.00 -0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.065 +[31] 0.066 0.052 0.065 [37] C 100. 2.37 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.56 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.20 0.05 [22] 0.06 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5640,8 +5640,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.90E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 7.90E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 [14] S/ESD 2 2 -0.070 0.6E+00 0.37 E-01 -1.9 C 1 OCC Composite @@ -5719,15 +5719,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.021 +[31] 0.019 0.017 0.021 [70] Maximum 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.030 0.044 +[31] 0.033 0.030 0.045 [03] Reversals @@ -5772,62 +5772,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.45 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.45 1.00 -0.12 -0.20 -0.20 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.035 0.044 +[31] 0.046 0.035 0.045 [37] C 3. 0.45 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.045 [37] C 4. 0.45 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.07 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.45 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.41 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.073 0.059 0.072 [37] C 12. 0.41 1.00 -0.02 -0.33 -0.16 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.072 0.058 0.071 [37] C 13. 0.41 1.00 -0.20 -0.28 0.03 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.071 +[31] 0.072 0.059 0.072 [37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.072 +[31] 0.074 0.058 0.073 [37] C 15. 0.41 1.00 -0.27 0.12 -0.38 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.057 0.071 +[31] 0.073 0.058 0.072 [37] C 100. 2.73 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.35 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.91 4.00 -0.17 -0.11 -0.20 0.04 [22] 0.04 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5916,8 +5916,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.32E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.32E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -5958,15 +5958,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.010 +[31] 0.007 0.005 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.010 0.028 +[31] 0.019 0.010 0.028 [03] Reversals @@ -6011,62 +6011,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.074 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.074 0.059 0.072 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.059 0.073 [37] C 100. 2.75 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0109 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6156,8 +6156,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.31E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.31E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6194,15 +6194,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.003 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.014 +[31] 0.007 0.004 0.014 [03] Reversals @@ -6247,62 +6247,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0039 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6391,8 +6391,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.30E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6429,15 +6429,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.008 +[31] 0.005 0.001 0.008 [03] Reversals @@ -6482,62 +6482,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.046 +[31] 0.047 0.037 0.046 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.072 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6993,8 +6993,8 @@ LS-scale= 6.354 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.01E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.01E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 -0.224 0.0E+00 0.151E+00 -1.49 SCALE [14] S/ESD 29 29 0.010 0.0E+00 0.75 E-02 1.4 C 13 Z @@ -7036,12 +7036,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.025 0.048 +[31] 0.038 0.025 0.048 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.064 0.047 0.093 +[31] 0.064 0.048 0.094 [03] Reversals @@ -7086,62 +7086,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.45 0.10 [73] -0.01 0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.065 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.064 +[31] 0.066 0.053 0.064 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.066 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.066 +[31] 0.068 0.053 0.066 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.052 0.066 +[31] 0.068 0.053 0.066 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0165 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7230,8 +7230,8 @@ LS-scale= 6.337 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.84E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.84E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7308,15 +7308,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.008 +[31] 0.010 0.006 0.008 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.016 [03] Reversals @@ -7361,62 +7361,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0659 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7505,8 +7505,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.76E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.76E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -7550,12 +7550,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.005 0.008 [03] Reversals @@ -7600,62 +7600,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7744,8 +7744,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.73E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.73E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7802,15 +7802,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [03] Reversals @@ -7855,62 +7855,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.59 4.00 -0.17 -0.11 -0.20 0.03 -0.0057 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7920,7 +7920,7 @@ All cycle Rw 0.0 19. 0.10E+03 [24] F 5. 0.073 0.273 0.509 0.285 0.216 1.904 Might be split [24] F 6. 0.074 0.281 0.754 0.370 0.251 2.854 Might be split #CYCLENDS -#USE SHAPERING3.IN +#USE SHAPERING1.IN # # PUNCHED ON AT # @@ -7940,9 +7940,6 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. 3 Symmetry restraints written to LIST 17 #LIST 17 #REFINE 1 - Atom C 100 has U-iso too small, -0.0018 - 1 temperature factors less than the lowest allowed value of 0.00000 - The minimum value was -0.00183 Initialising Special positions @@ -7954,30 +7951,30 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. h k l Fo Fc -[61] 1. 1. 0. 60. 76. -[61] 4. 1. 0. 19. 14. -[61] -11. 2. 0. 1. 3. -[61] 10. 2. 0. 4. 5. -[61] 10. 3. 0. 2. 3. -[61] -5. 4. 0. 18. 14. -[61] -6. 6. 0. 8. 4. -[61] 0. 6. 0. 16. 10. +[61] 1. 1. 0. 65. 80. +[61] 4. 1. 0. 20. 14. +[61] 6. 1. 0. 17. 13. +[61] -11. 2. 0. 1. 2. +[61] 2. 2. 0. 34. 23. +[61] 3. 2. 0. 30. 20. +[61] 8. 2. 0. 10. 8. +[61] -3. 3. 0. 16. 10. +[61] -2. 3. 0. 36. 27. +[61] -1. 3. 0. 36. 27. +[61] 3. 3. 0. 11. 6. +[61] 6. 3. 0. 18. 12. +[61] -6. 4. 0. 18. 13. +[61] -5. 4. 0. 20. 12. +[61] 0. 4. 0. 23. 18. +[61] 6. 4. 0. 7. 5. +[61] -7. 5. 0. 11. 8. +[61] 6. 5. 0. 13. 10. +[61] -6. 6. 0. 8. 5. +[61] -1. 6. 0. 18. 11. [61] 5. 6. 0. 9. 7. -[61] 8. 6. 0. 5. 7. -[61] 0. 7. 0. 19. 14. -[61] 1. 7. 0. 12. 8. -[61] 2. 7. 0. 9. 11. -[61] 7. 7. 0. 4. 5. -[61] 4. 8. 0. 7. 6. -[61] 6. 8. 0. 5. 6. -[61] 2. 10. 0. 2. 3. -[61] 3. 10. 0. 2. 4. -[61] 2. 11. 0. 4. 5. -[61] -4. -10. 1. 5. 7. -[61] -3. -10. 1. 3. 5. -[61] -4. -9. 1. 5. 7. -[61] -8. -7. 1. 3. 5. -[61] 0. -7. 1. 4. 2. +[61] -4. 7. 0. 15. 11. +[61] -5. 9. 0. 7. 5. +[61] 2. 10. 0. 2. 2. And so on ------------ @@ -7986,22 +7983,22 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 10. 23. ************ +[62] 13. 27. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 34000 32000 3400 On scale of /FC/ +[33] 36000 32000 4900 On scale of /FC/ -[32] 211780 202020 21560 0.33 E+06 On scale of /FO/ +[32] 211780 186550 28630 0.45 E+06 On scale of /FO/ - New scale factor (G) is 6.196, 2803 reflections used in refinement + New scale factor (G) is 5.759, 2803 reflections used in refinement Structure factor least squares calculation 6 ends 2 -[29] SumFo/SumFc= 6.49 SumFoFc/SumFc^2= 6.32 SumwFoFc/SumwFc^2= 6.40 -LS-scale= 6.196 Wilson Scale= 0.000 -[27] - = 0.5 100*(-)/ = 4. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 5.759 Wilson Scale= 0.000 +[27] - = 1.5 100*(-)/ = 11. #DORESTRAIN #LIST 26 #DORESTRAIN @@ -8023,10 +8020,36 @@ LS-scale= 6.196 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 6.35E-05 -[13] LARGE 1 1 1.6 0.0E+00 0.1 E+00 8.6 SCALE -[14] S/ESD 2 2 0.303 0.0E+00 0.24 E-01 12.4 C 1 OCC +[80a] Block No 1. Single precision relative error: 1E-03 +Insufficient precision - trying double +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 3E-12 +[13] LARGE 1 1 7.1 0.0E+00 0.2 E+00 32.3 SCALE +[14] S/ESD 2 2 0.426 0.0E+00 0.62 E-01 6.8 C 1 OCC + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + +[14] S/ESD 3 3 -0.011 0.0E+00 0.69 E-02 -1.6 C 1 X +[14] S/ESD 4 4 0.011 0.0E+00 0.65 E-02 1.6 C 1 Y +[14] S/ESD 5 5 0.020 0.0E+00 0.85 E-02 2.3 C 1 Z +[14] S/ESD 6 6 0.047 0.0E+00 0.98 E-02 4.8 C 1 U[ISO] Composite Composite @@ -8043,13 +8066,19 @@ Block No 1. Single precision relative error: 6.35E-05 Composite +[14] S/ESD 8 8 0.017 0.0E+00 0.63 E-02 2.8 C 2 Y +[14] S/ESD 9 9 0.016 0.0E+00 0.86 E-02 1.9 C 2 Z +[14] S/ESD 10 10 -0.018 0.0E+00 0.69 E-02 -2.6 C 3 X +[14a] LARGE 11 11 -0.029 0.0E+00 0.62 E-02 -4.7 C 3 Y +[14] S/ESD 12 12 0.011 0.0E+00 0.89 E-02 1.3 C 3 Z +[14] S/ESD 13 13 -0.013 0.0E+00 0.67 E-02 -1.9 C 4 X +[14] S/ESD 17 17 -0.013 0.0E+00 0.64 E-02 -2.0 C 5 Y +[14] S/ESD 18 18 0.015 0.0E+00 0.85 E-02 1.8 C 5 Z +[14] S/ESD 19 19 0.222 0.0E+00 0.47 E-01 4.6 C 11 OCC Composite Composite -[14] S/ESD 4 4 -0.013 0.0E+00 0.35 E-02 -3.7 C 1 Y -[14] S/ESD 5 5 -0.016 0.0E+00 0.47 E-02 -3.5 C 1 Z -[14] S/ESD 6 6 0.038 0.0E+00 0.39 E-02 9.6 C 1 U[ISO] Composite Composite @@ -8066,9 +8095,8 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 11 11 0.010 0.0E+00 0.35 E-02 2.9 C 3 Y -[14] S/ESD 15 15 0.011 0.0E+00 0.47 E-02 2.4 C 4 Z -[14] S/ESD 22 22 -0.010 0.0E+00 0.56 E-02 -1.8 C 11 Z +[14a] LARGE 20 20 0.040 0.0E+00 0.18 E-01 2.1 C 11 X +[14] S/ESD 23 23 -0.017 0.0E+00 0.22 E-02 -7.7 C 11 U[ISO] Composite Composite @@ -8141,22 +8169,23 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 24 24 -0.013 0.0E+00 0.44 E-02 -3.1 C 12 X -[14] S/ESD 28 28 -0.012 0.0E+00 0.42 E-02 -2.8 C 13 Y -[14] S/ESD 33 33 -0.014 0.0E+00 0.45 E-02 -3.2 C 15 X -[14] S/ESD 34 34 -0.010 0.0E+00 0.42 E-02 -2.4 C 15 Y -[14] S/ESD 35 35 -0.010 0.0E+00 0.56 E-02 -1.9 C 15 Z +[14] S/ESD 24 24 0.020 0.0E+00 0.18 E-01 1.1 C 12 X +[14] S/ESD 25 25 0.019 0.0E+00 0.17 E-01 1.0 C 12 Y +[14a] LARGE 28 28 0.031 0.0E+00 0.17 E-01 1.7 C 13 Y +[14a] LARGE 30 30 -0.024 0.0E+00 0.19 E-01 -1.2 C 14 X +[14a] LARGE 32 32 -0.039 0.0E+00 0.23 E-01 -1.6 C 14 Z +[14a] LARGE 33 33 0.037 0.0E+00 0.18 E-01 1.9 C 15 X for 35 parameters -[64] The rms (shift/su) = 3. +[64] The rms (shift/su) = 6. [64] The mean abs(shift/su) = 2. - The largest (shift/esd) = 12.43, for Parameter 2, C1OCC + The largest (shift/esd) = 32.33, for Parameter 1, SCALE Min Actual Max -All cycle R-factor 0.0 10. 0.10E+03 -All cycle Rw 0.0 24. 0.10E+03 +All cycle R-factor 0.0 14. 0.10E+03 +All cycle Rw 0.0 28. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.33E+06 0.10E+16 +All cycle Min function 0.0 0.45E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -8167,8 +8196,8 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.33E+06 0.0E+00 0.33E+06 -[45] Hamilton weighted R-value 23. 0.00 23. +[30] Minimisation function 0.45E+06 0.0E+00 0.45E+06 +[45] Hamilton weighted R-value 27. 0.00 27. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8181,16 +8210,16 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 1.62 0.15 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 -0.01 -0.01 +[38] Mean 7.10 0.32 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.032 0.030 -[71] R.M.S. 1. 0.21 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.087 0.072 0.079 +[71] R.M.S. 7. 0.34 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.242 0.164 0.152 -[70] Maximum 1. 0.30 0.03 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.161 0.123 0.147 +[70] Maximum 7. 0.42 0.04 0.04 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.443 0.294 0.344 [03] Reversals @@ -8221,9 +8250,9 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 -[41] 0.13 0.00 0.00 -[41] 0.09 0.00 0.00 +[41] 6.34 0.05 0.05 +[41] 0.58 0.00 0.00 +[41] 0.11 0.00 0.00 @@ -8232,66 +8261,66 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.91 1.00 -0.14 -0.10 -0.31 0.09 -[73] 0.30 -0.00 -0.01 -0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 2. 0.91 1.00 -0.11 -0.21 -0.18 0.09 -[73] 0.30 -0.00 0.00 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 3. 0.91 1.00 -0.17 -0.19 -0.09 0.09 -[73] 0.30 0.00 0.01 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.041 +[37] C 1. 0.95 1.00 -0.13 -0.10 -0.29 0.11 +[73] 0.42 -0.01 0.01 0.02 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.061 0.075 -[37] C 4. 0.91 1.00 -0.25 -0.06 -0.16 0.09 -[73] 0.30 0.00 0.00 0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 2. 0.95 1.00 -0.11 -0.19 -0.18 0.11 +[73] 0.42 -0.00 0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.076 -[37] C 5. 0.91 1.00 -0.22 -0.01 -0.28 0.09 -[73] 0.30 0.00 0.00 0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 3. 0.95 1.00 -0.19 -0.20 -0.09 0.11 +[73] 0.42 -0.01 -0.02 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.078 -[37] C 11. 0.56 1.00 -0.10 -0.08 -0.44 0.07 -[73] 0.01 -0.00 -0.00 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 4. 0.95 1.00 -0.26 -0.05 -0.17 0.11 +[73] 0.42 -0.01 0.00 0.00 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.075 0.061 0.075 -[37] C 12. 0.56 1.00 -0.01 -0.33 -0.14 0.07 -[73] 0.01 -0.01 0.00 -0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.049 0.039 0.048 +[37] C 5. 0.95 1.00 -0.21 -0.01 -0.28 0.11 +[73] 0.42 0.00 -0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.076 0.061 0.074 -[37] C 13. 0.56 1.00 -0.18 -0.26 0.05 0.07 -[73] 0.01 -0.00 -0.01 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 +[73] 0.22 0.04 0.00 -0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.206 0.169 0.205 -[37] C 14. 0.56 1.00 -0.33 -0.01 -0.06 0.07 -[73] 0.01 -0.00 0.00 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 +[73] 0.22 0.02 0.01 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.203 0.167 0.195 -[37] C 15. 0.56 1.00 -0.27 0.13 -0.37 0.07 -[73] 0.01 -0.01 -0.01 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 13. 0.54 1.00 -0.18 -0.25 0.04 0.11 +[73] 0.22 -0.00 0.03 0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.209 0.168 0.200 -[37] C 100. 0.44 4.00 -0.20 -0.14 -0.22 0.00 - -1.5155 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 14. 0.54 1.00 -0.34 0.00 -0.10 0.11 +[73] 0.22 -0.02 -0.01 -0.03 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.212 0.167 0.207 -[37] C 200. 2.17 4.00 -0.20 -0.14 -0.23 0.02 - -0.0767 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.09 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 -[84] Mean C-C su = 0.03 +[37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 +[73] 0.22 0.03 0.00 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.207 0.163 0.203 + +[37] C 100. 0.22 4.00 -0.16 -0.09 -0.18 0.04 + -2.1337 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.31 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 + +[37] C 200. 2.28 4.00 -0.16 -0.10 -0.19 0.06 + -1.1126 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.23 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 +[84] Mean C-C su = 0.11 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8314,30 +8343,30 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 h k l Fo Fc -[61] 2. 10. 0. 2. 2. -[61] 3. 10. 0. 2. 4. -[61] -8. -7. 1. 3. 4. -[61] 0. -7. 1. 4. 3. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. +[61] 3. 10. 0. 2. 3. +[61] -3. -6. 1. 4. 6. [61] 10. -4. 1. 3. 5. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. -[61] 10. -1. 1. 2. 4. -[61] 4. 0. 1. 23. 16. +[61] 10. -1. 1. 2. 5. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. -[61] 2. 1. 1. 14. 19. -[61] 4. 2. 1. 17. 11. -[61] 2. 10. 1. 3. 4. -[61] -5. -5. 2. 4. 6. +[61] -5. -5. 2. 4. 7. [61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 3. -[61] 9. -3. 2. 3. 6. +[61] 9. -3. 2. 3. 5. [61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. +[61] 4. -1. 2. 7. 3. +[61] 9. -1. 2. 2. 4. +[61] 9. 0. 2. 2. 5. +[61] 5. 2. 2. 3. 6. +[61] 4. 4. 2. 6. 3. +[61] 3. -6. 3. 3. 1. +[61] 8. -4. 3. 3. 5. +[61] -2. -3. 3. 8. 12. +[61] 8. -3. 3. 3. 6. +[61] 8. -2. 3. 1. 3. +[61] 8. -1. 3. 1. 3. +[61] 8. 0. 3. 2. 3. And so on ------------ @@ -8346,7 +8375,7 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 8. 20. ************ +[62] 8. 21. ************ *** *** @@ -8354,14 +8383,14 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 [33] 33000 32000 2700 On scale of /FC/ -[32] 211780 205420 17410 0.25 E+06 On scale of /FO/ +[32] 211780 205850 17550 0.26 E+06 On scale of /FO/ - New scale factor (G) is 6.326, 2803 reflections used in refinement + New scale factor (G) is 6.346, 2803 reflections used in refinement Structure factor least squares calculation 7 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.47 -LS-scale= 6.326 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 6.346 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8379,9 +8408,9 @@ LS-scale= 6.326 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.88E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 5.88E-05 -[14] S/ESD 2 2 0.030 0.1E+00 0.24 E-01 1.2 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.229 -0.5E+00 0.45 E-01 -5.0 C 1 OCC Composite Composite @@ -8402,7 +8431,8 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 6 6 -0.015 -0.4E+00 0.36 E-02 -4.2 C 1 U[ISO] +[14] S/ESD 5 5 -0.015 -0.8E+00 0.45 E-02 -3.3 C 1 Z +[14] S/ESD 6 6 -0.039 -0.8E+00 0.46 E-02 -8.6 C 1 U[ISO] Composite Composite @@ -8419,7 +8449,13 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 19 19 -0.042 -0.3E+01 0.19 E-01 -2.2 C 11 OCC +[14] S/ESD 8 8 -0.014 -0.8E+00 0.34 E-02 -4.1 C 2 Y +[14] S/ESD 9 9 -0.014 -0.8E+00 0.47 E-02 -2.9 C 2 Z +[14] S/ESD 10 10 0.013 -0.7E+00 0.39 E-02 3.4 C 3 X +[14] S/ESD 11 11 0.014 -0.5E+00 0.36 E-02 3.9 C 3 Y +[14] S/ESD 16 16 -0.010 -0.1E+01 0.36 E-02 -2.8 C 5 X +[14] S/ESD 18 18 -0.013 -0.8E+00 0.46 E-02 -2.8 C 5 Z +[14] S/ESD 19 19 -0.142 -0.6E+00 0.29 E-01 -4.8 C 11 OCC Composite Composite @@ -8440,8 +8476,7 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 22 22 -0.010 0.1E+01 0.50 E-02 -2.1 C 11 Z -[14] S/ESD 23 23 0.013 0.2E+01 0.14 E-02 9.1 C 11 U[ISO] +[14a] LARGE 22 22 0.032 -0.2E+01 0.76 E-02 4.2 C 11 Z Composite Composite @@ -8514,19 +8549,23 @@ Block No 1. Single precision relative error: 5.88E-05 Composite +[14] S/ESD 26 26 0.014 0.5E+01 0.77 E-02 1.9 C 12 Z +[14] S/ESD 30 30 0.010 -0.4E+00 0.63 E-02 1.5 C 14 X +[14] S/ESD 32 32 0.012 -0.3E+00 0.78 E-02 1.6 C 14 Z +[14] S/ESD 34 34 0.010 0.4E+01 0.58 E-02 1.8 C 15 Y for 35 parameters [64] The rms (shift/su) = 2. [64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 9.1 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 8.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 8.2 0.10E+03 +All cycle R-factor 0.0 8.3 0.10E+03 All cycle Rw 0.0 21. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.25E+06 0.10E+16 -Inter cycle R-factor -5.0 2.0 0.10E+03 -Inter cycle Rw -5.0 3.1 0.10E+03 +All cycle Min function 0.0 0.26E+06 0.10E+16 +Inter cycle R-factor -5.0 5.2 0.10E+03 +Inter cycle Rw -5.0 6.8 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8539,8 +8578,8 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.25E+06 0.0E+00 0.25E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.26E+06 0.0E+00 0.26E+06 +[45] Hamilton weighted R-value 21. 0.00 21. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8553,16 +8592,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.02 -0.02 +[38] Mean -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.018 0.015 0.015 -[71] R.M.S. 0. 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.038 0.049 +[71] R.M.S. 0. 0.19 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.077 0.075 0.125 -[70] Maximum 0. 0.04 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.097 0.090 0.095 +[70] Maximum 0. 0.22 0.03 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.150 0.135 0.282 [03] Reversals @@ -8593,7 +8632,7 @@ Inter cycle Rw -5.0 3.1 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 +[41] 6.34 0.05 0.05 [41] -0.00 0.00 0.00 [41] 0.08 0.00 0.00 @@ -8604,66 +8643,66 @@ Inter cycle Rw -5.0 3.1 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.94 1.00 -0.13 -0.10 -0.30 0.07 -[73] 0.03 0.00 -0.00 0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.034 +[37] C 1. 0.72 1.00 -0.13 -0.10 -0.31 0.07 +[73] -0.22 -0.00 -0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.042 0.033 0.040 -[37] C 2. 0.94 1.00 -0.11 -0.21 -0.19 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.029 0.035 +[37] C 2. 0.72 1.00 -0.11 -0.21 -0.19 0.07 +[73] -0.22 -0.00 -0.01 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.032 0.041 -[37] C 3. 0.94 1.00 -0.18 -0.20 -0.09 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.037 0.029 0.035 +[37] C 3. 0.72 1.00 -0.18 -0.19 -0.10 0.07 +[73] -0.22 0.01 0.01 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.034 0.041 -[37] C 4. 0.94 1.00 -0.25 -0.06 -0.16 0.07 -[73] 0.03 -0.00 0.00 0.00 -0.01 +[37] C 4. 0.72 1.00 -0.25 -0.05 -0.17 0.07 +[73] -0.22 0.00 -0.00 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.033 0.041 + +[37] C 5. 0.72 1.00 -0.22 0.00 -0.29 0.07 +[73] -0.22 -0.01 0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.034 0.040 + +[37] C 11. 0.40 1.00 -0.07 -0.06 -0.43 0.10 +[73] -0.14 0.00 0.00 0.03 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.035 +[31] 0.068 0.054 0.067 -[37] C 5. 0.94 1.00 -0.22 -0.01 -0.29 0.07 -[73] 0.03 -0.00 0.00 -0.00 -0.01 +[37] C 12. 0.40 1.00 0.00 -0.31 -0.14 0.10 +[73] -0.14 0.00 -0.00 0.01 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.036 0.028 0.035 +[31] 0.069 0.056 0.067 -[37] C 11. 0.52 1.00 -0.11 -0.09 -0.45 0.08 -[73] -0.04 -0.00 -0.00 -0.01 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 13. 0.40 1.00 -0.18 -0.25 0.04 0.10 +[73] -0.14 -0.00 -0.00 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.072 0.057 0.069 -[37] C 12. 0.52 1.00 -0.01 -0.33 -0.15 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[37] C 14. 0.40 1.00 -0.33 0.00 -0.08 0.10 +[73] -0.14 0.01 0.00 0.01 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.054 0.068 -[37] C 13. 0.52 1.00 -0.18 -0.27 0.05 0.08 -[73] -0.04 -0.00 -0.00 0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 15. 0.40 1.00 -0.24 0.15 -0.36 0.10 +[73] -0.14 -0.00 0.01 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.055 0.068 -[37] C 14. 0.52 1.00 -0.33 -0.01 -0.06 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[37] C 100. 1.36 4.00 -0.16 -0.10 -0.19 0.04 +[22] 1.14 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.22 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 -[37] C 15. 0.52 1.00 -0.27 0.12 -0.38 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 - -[37] C 100. 0.29 4.00 -0.18 -0.12 -0.21 0.02 - -0.1516 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.12 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 - -[37] C 200. 2.38 4.00 -0.19 -0.12 -0.22 0.03 -[22] 0.21 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.09 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 -[84] Mean C-C su = 0.03 +[37] C 200. 2.99 4.00 -0.17 -0.10 -0.20 0.05 +[22] 0.71 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.14 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8686,18 +8725,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 h k l Fo Fc +[61] 1. 1. 0. 59. 77. [61] -11. 2. 0. 1. 3. -[61] -6. 6. 0. 8. 6. -[61] 0. 6. 0. 16. 12. -[61] 1. 7. 0. 11. 8. -[61] 3. 10. 0. 2. 3. +[61] -6. 6. 0. 8. 5. [61] -2. -11. 1. 5. 6. [61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. [61] -7. -5. 1. 8. 6. -[61] -6. -5. 1. 7. 5. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. @@ -8706,10 +8739,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [61] 10. -2. 1. 2. 4. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. -[61] 4. 0. 1. 23. 16. +[61] 4. 0. 1. 23. 17. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. +[61] 0. 5. 1. 7. 5. +[61] -8. -7. 2. 2. 3. +[61] -5. -5. 2. 4. 6. +[61] -8. -4. 2. 10. 7. +[61] 9. -4. 2. 2. 4. +[61] -2. -3. 2. 15. 20. +[61] 5. -3. 2. 5. 3. +[61] 9. -3. 2. 3. 5. And so on ------------ @@ -8718,22 +8757,22 @@ Inter cycle Rw -5.0 3.1 0.10E+03 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 7. 20. ************ +[62] 7. 19. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2600 On scale of /FC/ +[33] 33000 32000 2500 On scale of /FC/ -[32] 211780 205320 16930 0.23 E+06 On scale of /FO/ +[32] 211780 205760 16140 0.22 E+06 On scale of /FO/ - New scale factor (G) is 6.324, 2803 reflections used in refinement + New scale factor (G) is 6.344, 2803 reflections used in refinement Structure factor least squares calculation 8 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.48 -LS-scale= 6.324 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.344 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8751,30 +8790,9 @@ LS-scale= 6.324 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.59E-05 -[14] S/ESD 2 2 -0.276 -0.9E+01 0.31 E-01 -8.6 C 1 OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - -[14] S/ESD 19 19 -0.068 0.2E+01 0.23 E-01 -2.9 C 11 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.151 0.7E+00 0.39 E-01 -3.8 C 1 OCC Composite Composite @@ -8795,7 +8813,7 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 23 23 0.010 0.8E+00 0.17 E-02 6.1 C 11 U[ISO] +[14] S/ESD 23 23 -0.010 0.1E+01 0.15 E-02 -6.4 C 11 U[ISO] Composite Composite @@ -8868,23 +8886,20 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 27 27 -0.011 0.2E+02 0.49 E-02 -2.2 C 13 X -[14] S/ESD 28 28 -0.011 0.2E+01 0.45 E-02 -2.4 C 13 Y -[14] S/ESD 29 29 -0.010 -0.5E+01 0.60 E-02 -1.7 C 13 Z -[14] S/ESD 32 32 -0.010 0.3E+01 0.61 E-02 -1.7 C 14 Z +[14] S/ESD 27 27 0.013 -0.2E+02 0.74 E-02 1.7 C 13 X for 35 parameters -[64] The rms (shift/su) = 2. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 8.6 , for Parameter 2, C1OCC +[64] The rms (shift/su) = 1. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 6.4 , for Parameter 23, C11U[11] Min Actual Max -All cycle R-factor 0.0 8.0 0.10E+03 +All cycle R-factor 0.0 7.6 0.10E+03 All cycle Rw 0.0 20. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.24E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.2 0.1 E+03 -[26] Inter cycle Rw -5.0 0.6 0.1 E+03 +All cycle Min function 0.0 0.23E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.6 0.1 E+03 +Inter cycle Rw -5.0 1.5 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8897,8 +8912,8 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.23E+06 0.0E+00 0.23E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.22E+06 0.0E+00 0.22E+06 +[45] Hamilton weighted R-value 19. 0.00 19. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8911,16 +8926,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.15 -0.17 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.01 -0.01 +[38] Mean -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.018 -[71] R.M.S. 0. 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.061 0.058 +[71] R.M.S. 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.069 0.041 0.045 -[70] Maximum 0. 0.27 0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.106 0.091 +[70] Maximum 0. 0.15 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.147 0.066 0.079 [03] Reversals @@ -8952,7 +8967,7 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.01 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -8962,66 +8977,66 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.66 1.00 -0.13 -0.10 -0.30 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 1. 0.57 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 2. 0.66 1.00 -0.11 -0.20 -0.18 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 2. 0.57 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.15 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.036 0.028 0.035 -[37] C 3. 0.66 1.00 -0.17 -0.19 -0.09 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 3. 0.57 1.00 -0.18 -0.19 -0.10 0.06 +[73] -0.15 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.035 -[37] C 4. 0.66 1.00 -0.25 -0.06 -0.16 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 4. 0.57 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.034 0.028 0.034 -[37] C 5. 0.66 1.00 -0.22 -0.01 -0.28 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 5. 0.57 1.00 -0.22 0.00 -0.29 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 11. 0.45 1.00 -0.11 -0.09 -0.46 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 11. 0.38 1.00 -0.07 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.052 0.042 0.051 +[31] 0.079 0.064 0.078 -[37] C 12. 0.45 1.00 -0.02 -0.33 -0.16 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.079 0.064 0.077 -[37] C 13. 0.45 1.00 -0.19 -0.28 0.04 0.09 -[73] -0.06 -0.01 -0.01 -0.01 0.01 +[37] C 13. 0.38 1.00 -0.16 -0.24 0.05 0.09 +[73] -0.01 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.083 0.065 0.080 -[37] C 14. 0.45 1.00 -0.34 -0.02 -0.07 0.09 -[73] -0.06 -0.00 -0.00 -0.01 0.01 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.082 0.064 0.080 -[37] C 15. 0.45 1.00 -0.28 0.11 -0.38 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 +[73] -0.01 -0.00 0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.081 0.064 0.080 -[37] C 100. 1.67 4.00 -0.17 -0.11 -0.20 0.03 -[22] 1.38 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.15 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[37] C 100. 2.12 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.75 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.19 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 -[37] C 200. 2.73 4.00 -0.18 -0.11 -0.21 0.04 -[22] 0.34 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.11 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 -[84] Mean C-C su = 0.03 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.09 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.13 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -9044,30 +9059,30 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 h k l Fo Fc +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. +[61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] 6. 5. 1. 5. 4. +[61] -2. 1. 1. 62. 76. +[61] 1. 6. 1. 13. 10. [61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. -[61] 9. -3. 2. 3. 5. -[61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. -[61] 9. -1. 2. 2. 3. And so on ------------ @@ -9082,16 +9097,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2500 On scale of /FC/ +[33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205390 15850 0.21 E+06 On scale of /FO/ +[32] 211780 205530 15810 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.336, 2803 reflections used in refinement + New scale factor (G) is 6.338, 2803 reflections used in refinement Structure factor least squares calculation 9 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.336 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.338 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9109,9 +9124,9 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.40E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.40E-04 -[14] S/ESD 2 2 -0.192 0.7E+00 0.35 E-01 -5.3 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.063 0.4E+00 0.35 E-01 -1.8 C 1 OCC Composite Composite @@ -9132,7 +9147,6 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 6 6 -0.015 0.8E+01 0.37 E-02 -4.1 C 1 U[ISO] Composite Composite @@ -9149,114 +9163,21 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 19 19 -0.043 0.6E+00 0.24 E-01 -1.7 C 11 OCC - Composite - Composite + for 35 parameters +[64] The rms (shift/su) = 0. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 1.8 , for Parameter 2, C1OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - - for 35 parameters -[64] The rms (shift/su) = 1. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 5.3 , for Parameter 2, C1OCC - - Min Actual Max -All cycle R-factor 0.0 7.5 0.10E+03 -All cycle Rw 0.0 19. 0.10E+03 -[06] All cycle shift/esd -All cycle Min function 0.0 0.22E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.5 0.1 E+03 -[26] Inter cycle Rw -5.0 0.7 0.1 E+03 -[69] Inter cycle shift/esd -[07] Inter cycle Min function 0.0 + Min Actual Max +All cycle R-factor 0.0 7.5 0.10E+03 +All cycle Rw 0.0 19. 0.10E+03 +[06] All cycle shift/esd +All cycle Min function 0.0 0.22E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.1 0.1 E+03 +[26] Inter cycle Rw -5.0 0.3 0.1 E+03 +[69] Inter cycle shift/esd +[07] Inter cycle Min function 0.0 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9281,16 +9202,16 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.04 -0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 0.00 0.00 +[38] Mean -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] -0.000 0.000 0.001 -[71] R.M.S. 0. 0.13 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.032 0.046 +[71] R.M.S. 0. 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.030 0.023 -[70] Maximum 0. 0.19 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.052 0.071 +[70] Maximum 0. 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.084 0.044 0.037 [03] Reversals @@ -9322,7 +9243,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9332,65 +9253,65 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.47 1.00 -0.14 -0.10 -0.30 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.037 +[31] 0.041 0.033 0.040 -[37] C 2. 0.47 1.00 -0.12 -0.21 -0.19 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 3. 0.47 1.00 -0.18 -0.19 -0.09 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 4. 0.51 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.052 0.064 +[31] 0.077 0.061 0.075 -[37] C 12. 0.40 1.00 -0.02 -0.33 -0.15 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.051 0.062 +[31] 0.075 0.061 0.074 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.04 -0.00 -0.00 -0.00 0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.063 +[31] 0.078 0.062 0.075 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.04 -0.00 0.00 -0.00 0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.064 +[31] 0.077 0.061 0.076 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.36 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.051 0.063 +[31] 0.077 0.061 0.076 -[37] C 100. 2.63 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.96 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.17 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 100. 2.44 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.31 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.05 -[22] 0.21 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.12 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 200. 3.14 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.05 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9415,30 +9336,30 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. +[61] -11. -2. 1. 2. 1. [61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. And so on ------------ @@ -9455,13 +9376,13 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205450 15700 0.21 E+06 On scale of /FO/ +[32] 211780 205500 15780 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.339, 2803 reflections used in refinement + New scale factor (G) is 6.337, 2803 reflections used in refinement Structure factor least squares calculation 10 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.339 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.337 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9480,91 +9401,19 @@ LS-scale= 6.339 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.75E-04 - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 1.0 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 0.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 +All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9589,16 +9438,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[38] Mean -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[89] 0.00 0.00 0.00 -[71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.016 +[71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.012 0.009 0.009 -[70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.027 0.030 +[70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.017 [03] Reversals @@ -9629,8 +9478,8 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] 6.33 0.05 0.05 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9640,65 +9489,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.02 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.01 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.44 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.49 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.01 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.043 -[37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.02 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 -[73] -0.02 -0.00 -0.00 0.00 -0.00 +[37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.079 0.063 0.077 -[37] C 12. 0.40 1.00 -0.01 -0.33 -0.15 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.071 +[31] 0.078 0.063 0.076 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.080 0.063 0.077 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.059 0.073 +[31] 0.079 0.062 0.078 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.079 0.063 0.078 -[37] C 100. 2.77 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.14 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.08 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.04 -[22] 0.00 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 + -0.0420 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9722,30 +9571,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 5. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -2. -11. 2. 3. 3. And so on ------------ @@ -9762,13 +9611,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 11 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9787,21 +9636,93 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.70E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.70E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.2 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.1 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-02 0.1 E+03 -[25] Inter cycle Rw -5.0 0. E-01 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-01 0.1 E+03 +[25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -9828,16 +9749,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.005 0.005 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.011 +[31] 0.010 0.011 0.007 [03] Reversals @@ -9868,7 +9789,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9879,65 +9800,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.077 0.062 0.076 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 -0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.074 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.078 0.062 0.076 -[37] C 14. 0.41 1.00 -0.34 -0.02 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.078 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.078 0.061 0.076 -[37] C 100. 2.81 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.04 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.02 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 -[37] C 200. 2.94 4.00 -0.17 -0.11 -0.20 0.04 - -0.0154 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 + -0.0145 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9961,30 +9882,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10001,13 +9922,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 12 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10026,20 +9947,20 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.1 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 24, C12X Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-03 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-02 0.1 E+03 [25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -10067,16 +9988,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.006 0.004 0.003 [03] Reversals @@ -10107,7 +10028,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10118,65 +10039,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.077 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.078 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 -0.00 0.00 -0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0072 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10200,20 +10121,18 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. [61] -1. -1. 1. 62. 77. @@ -10223,7 +10142,9 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10240,13 +10161,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 13 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10265,16 +10186,16 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.66E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.0 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd Forced termination after this cycle: Actual value condition on: shift/esd @@ -10302,16 +10223,16 @@ All cycle Rw 0.0 19. 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.003 0.004 0.001 [03] Reversals @@ -10342,7 +10263,7 @@ All cycle Rw 0.0 19. 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10353,65 +10274,65 @@ All cycle Rw 0.0 19. 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.077 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.060 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.075 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10623,7 +10544,6 @@ All cycle Rw 0.0 19. 0.10E+03 CALCULATED APPLIED 0.000 0.000 - -0.001 -0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10641,6 +10561,7 @@ All cycle Rw 0.0 19. 0.10E+03 0.000 0.000 0.000 0.000 0.000 0.000 + 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10867,8 +10788,8 @@ LS-scale= 6.302 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.27E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.27E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.341 0.0E+00 0.151E+00 2.26 SCALE for 35 parameters @@ -10909,12 +10830,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.041 +[31] 0.034 0.026 0.041 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.056 0.077 +[31] 0.058 0.057 0.077 [03] Reversals @@ -10959,62 +10880,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.065 +[31] 0.067 0.054 0.065 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.068 0.055 0.067 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.067 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.053 0.067 +[31] 0.069 0.054 0.067 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0111 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11103,8 +11024,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.89E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.89E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11181,15 +11102,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.005 0.007 +[31] 0.010 0.005 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.010 0.013 +[31] 0.020 0.010 0.013 [03] Reversals @@ -11234,62 +11155,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0649 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11378,8 +11299,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.80E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.80E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -11420,15 +11341,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -11473,62 +11394,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11617,8 +11538,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.77E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11675,15 +11596,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -11728,62 +11649,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0055 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11893,8 +11814,8 @@ LS-scale= 5.752 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 5.86E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 6E-04 [13] LARGE 1 1 7.0 0.0E+00 0.2 E+00 32.0 SCALE [14] S/ESD 2 2 0.521 0.0E+00 0.51 E-01 10.2 C 1 OCC Composite @@ -12056,15 +11977,15 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [38] Mean 7.06 0.28 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.036 0.031 0.028 +[31] 0.036 0.031 0.029 [71] R.M.S. 7. 0.36 0.04 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.122 0.114 0.168 +[31] 0.122 0.115 0.169 [70] Maximum 7. 0.52 0.06 0.02 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.235 0.286 0.319 +[31] 0.236 0.286 0.320 [03] Reversals @@ -12109,62 +12030,62 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [37] C 1. 0.94 1.00 -0.13 -0.09 -0.29 0.11 [73] 0.52 -0.00 0.00 0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 2. 0.94 1.00 -0.10 -0.20 -0.18 0.11 [73] 0.52 0.02 0.00 0.00 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.078 0.060 0.075 +[31] 0.078 0.061 0.076 [37] C 3. 0.94 1.00 -0.18 -0.19 -0.09 0.11 [73] 0.52 0.00 -0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 4. 0.94 1.00 -0.25 -0.05 -0.16 0.11 [73] 0.52 0.00 0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.076 +[31] 0.076 0.062 0.076 [37] C 5. 0.94 1.00 -0.22 0.00 -0.28 0.11 [73] 0.52 -0.00 -0.00 -0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.062 0.075 [37] C 11. 0.56 1.00 -0.09 -0.06 -0.46 0.12 [73] 0.04 0.00 0.00 -0.03 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.137 0.109 0.132 +[31] 0.137 0.110 0.132 [37] C 12. 0.56 1.00 -0.01 -0.30 -0.15 0.12 [73] 0.04 -0.01 0.03 -0.01 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.108 0.128 +[31] 0.134 0.108 0.128 [37] C 13. 0.56 1.00 -0.19 -0.25 0.04 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.134 0.108 0.131 +[31] 0.135 0.108 0.131 [37] C 14. 0.56 1.00 -0.33 0.00 -0.08 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.136 0.106 0.132 +[31] 0.137 0.106 0.132 [37] C 15. 0.56 1.00 -0.25 0.13 -0.35 0.12 [73] 0.04 0.01 -0.00 0.02 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.105 0.130 +[31] 0.134 0.105 0.130 [37] C 100. 0.25 4.00 -0.15 -0.09 -0.18 0.05 -2.6050 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.25 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [37] C 200. 2.18 4.00 -0.15 -0.09 -0.19 0.06 -0.2304 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.23 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [84] Mean C-C su = 0.08 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12253,8 +12174,8 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.72E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.153 -0.3E+00 0.47 E-01 -3.2 C 1 OCC Composite @@ -12434,15 +12355,15 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [38] Mean -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.015 +[31] 0.020 0.016 0.016 [71] R.M.S. 0. 0.13 0.03 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.074 0.082 0.132 +[31] 0.075 0.083 0.132 [70] Maximum 0. 0.15 0.04 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.171 0.169 0.317 +[31] 0.171 0.169 0.317 [03] Reversals @@ -12487,62 +12408,62 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [37] C 1. 0.79 1.00 -0.13 -0.09 -0.31 0.06 [73] -0.15 -0.00 0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.040 +[31] 0.043 0.034 0.040 [37] C 2. 0.79 1.00 -0.11 -0.21 -0.19 0.06 [73] -0.15 -0.00 -0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.033 0.042 +[31] 0.043 0.033 0.042 [37] C 3. 0.79 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.15 0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 4. 0.79 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.15 -0.00 -0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[31] 0.041 0.033 0.041 [37] C 5. 0.79 1.00 -0.22 0.00 -0.28 0.06 [73] -0.15 -0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.040 +[31] 0.042 0.034 0.041 [37] C 11. 0.45 1.00 -0.08 -0.06 -0.43 0.11 [73] -0.10 0.00 0.00 0.03 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.066 +[31] 0.069 0.054 0.067 [37] C 12. 0.45 1.00 0.00 -0.31 -0.14 0.11 [73] -0.10 0.01 -0.01 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.068 0.056 0.067 +[31] 0.069 0.057 0.067 [37] C 13. 0.45 1.00 -0.18 -0.25 0.05 0.11 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.070 0.056 0.068 [37] C 14. 0.45 1.00 -0.33 0.00 -0.07 0.11 [73] -0.10 0.00 0.00 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.068 +[31] 0.070 0.054 0.068 [37] C 15. 0.45 1.00 -0.25 0.15 -0.36 0.11 [73] -0.10 -0.00 0.01 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.067 +[31] 0.070 0.054 0.068 [37] C 100. 1.02 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.76 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.23 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.72 4.00 -0.16 -0.10 -0.19 0.05 [22] 0.54 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.15 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12631,8 +12552,8 @@ LS-scale= 6.331 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.173 0.1E+01 0.41 E-01 -4.1 C 1 OCC Composite @@ -12790,15 +12711,15 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [38] Mean -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.025 0.024 +[31] 0.030 0.026 0.025 [71] R.M.S. 0. 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.053 0.051 +[31] 0.056 0.053 0.052 [70] Maximum 0. 0.17 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.130 0.084 +[31] 0.119 0.130 0.084 [03] Reversals @@ -12843,62 +12764,62 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 0.62 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.17 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 2. 0.62 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.17 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.024 0.031 +[31] 0.032 0.024 0.031 [37] C 3. 0.62 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.17 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.031 +[31] 0.032 0.025 0.031 [37] C 4. 0.62 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.031 [37] C 5. 0.62 1.00 -0.22 0.00 -0.28 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 11. 0.39 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.06 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.074 0.059 0.072 [37] C 12. 0.39 1.00 0.00 -0.30 -0.13 0.09 [73] -0.06 0.00 0.01 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.39 1.00 -0.17 -0.24 0.05 0.09 [73] -0.06 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.39 1.00 -0.32 0.01 -0.06 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.39 1.00 -0.25 0.15 -0.35 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.074 0.059 0.073 [37] C 100. 1.88 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.86 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.20 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [37] C 200. 3.04 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.31 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.13 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12987,8 +12908,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.104 0.6E+00 0.34 E-01 -2.9 C 1 OCC Composite @@ -13053,12 +12974,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.040 0.037 0.027 +[31] 0.040 0.037 0.027 [70] Maximum 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.075 0.080 0.047 +[31] 0.075 0.080 0.048 [03] Reversals @@ -13103,62 +13024,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.038 0.030 0.037 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 4. 0.51 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.037 +[31] 0.037 0.030 0.037 [37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.037 0.030 0.037 [37] C 11. 0.36 1.00 -0.09 -0.06 -0.44 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.075 0.060 0.073 [37] C 12. 0.36 1.00 0.00 -0.31 -0.14 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.060 0.072 [37] C 13. 0.36 1.00 -0.17 -0.24 0.05 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.36 1.00 -0.32 0.01 -0.06 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.059 0.074 [37] C 15. 0.36 1.00 -0.25 0.15 -0.36 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.060 0.074 [37] C 100. 2.40 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.52 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.11 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13248,8 +13169,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.95E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.95E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13289,12 +13210,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.010 +[31] 0.014 0.016 0.011 [70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.037 0.026 +[31] 0.033 0.037 0.026 [03] Reversals @@ -13339,62 +13260,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.02 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.49 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.49 1.00 -0.22 0.00 -0.28 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.37 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.064 0.078 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.063 0.076 [37] C 13. 0.37 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.37 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.080 0.063 0.078 [37] C 15. 0.37 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.080 0.063 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0468 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13483,8 +13404,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.86E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 Composite Composite @@ -13600,12 +13521,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.017 +[31] 0.018 0.020 0.018 [03] Reversals @@ -13650,62 +13571,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.062 0.076 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.074 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.075 +[31] 0.078 0.062 0.076 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.03 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0202 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13794,8 +13715,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.81E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13839,12 +13760,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.001 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.003 +[31] 0.007 0.009 0.004 [03] Reversals @@ -13889,62 +13810,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.077 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.075 0.061 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0093 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14033,8 +13954,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.59E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -14078,12 +13999,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.007 0.004 [03] Reversals @@ -14128,62 +14049,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.075 0.060 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.074 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14385,7 +14306,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 24 serial number 54 Address 448446 Length 90 Created on + Print list type 24 serial number 54 Address 451290 Length 90 Created on diff --git a/test_suite/LINUXGHGUI.org/slant.out b/test_suite/LINUXGHGUI.org/slant.out index cd9ad7aab..48162bc63 100644 --- a/test_suite/LINUXGHGUI.org/slant.out +++ b/test_suite/LINUXGHGUI.org/slant.out @@ -595,9 +595,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 8.70 -0.12 0.0 0.02 -0.00 0.00 0.00 -0.00 0.00 -[35] -0.12 6.28 0.0 -0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 8.71 -0.12 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 +[35] -0.12 6.28 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -622,9 +622,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 -0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -643,9 +643,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 diff --git a/test_suite/LINUXGHGUI.org/sphere.out b/test_suite/LINUXGHGUI.org/sphere.out index 69c81e5f9..182fd3ac0 100644 --- a/test_suite/LINUXGHGUI.org/sphere.out +++ b/test_suite/LINUXGHGUI.org/sphere.out @@ -398,8 +398,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -436,15 +436,15 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -489,22 +489,22 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -586,8 +586,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -624,15 +624,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -677,22 +677,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -801,8 +801,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.014 0.0E+00 0.593E-02 -2.30 SCALE Composite @@ -850,12 +850,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [03] Reversals @@ -900,22 +900,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -973,8 +973,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.012 -0.1E+01 0.28 E-02 -4.3 O 1 U[33] for 16 parameters @@ -1019,12 +1019,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [03] Reversals @@ -1069,22 +1069,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1166,8 +1166,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1211,12 +1211,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -1261,22 +1261,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1358,8 +1358,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1396,15 +1396,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1449,22 +1449,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1547,8 +1547,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1585,15 +1585,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,22 +1638,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -2134,8 +2134,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2172,15 +2172,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [03] Reversals @@ -2225,22 +2225,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2322,8 +2322,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2360,15 +2360,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2413,22 +2413,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -2537,8 +2537,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.016 0.0E+00 0.613E-02 -2.66 SCALE Composite @@ -2586,12 +2586,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [03] Reversals @@ -2636,22 +2636,22 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2711,8 +2711,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.02E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.013 -0.1E+01 0.31 E-02 -4.1 O 1 U[33] for 16 parameters @@ -2757,12 +2757,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.009 0.025 +[31] 0.016 0.010 0.025 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.009 0.025 +[31] 0.016 0.010 0.025 [03] Reversals @@ -2807,22 +2807,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2904,8 +2904,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2949,12 +2949,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [03] Reversals @@ -2999,22 +2999,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3096,8 +3096,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3141,12 +3141,12 @@ All cycle Min function 0.0 0.26E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3191,22 +3191,22 @@ All cycle Min function 0.0 0.26E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3289,8 +3289,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3327,15 +3327,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3380,22 +3380,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3876,8 +3876,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3914,15 +3914,15 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [03] Reversals @@ -3967,22 +3967,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4064,8 +4064,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4102,15 +4102,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4155,22 +4155,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -4279,8 +4279,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.79E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.014 0.0E+00 0.591E-02 -2.38 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.2 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.44 E-02 2.5 O 1 U[33] @@ -4324,12 +4324,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] -0.05 -0.05 0.09 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [03] Reversals @@ -4374,22 +4374,22 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.010 +[31] 0.013 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4447,8 +4447,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -4497,12 +4497,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 0.00 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.030 +[31] 0.014 0.010 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.030 +[31] 0.014 0.010 0.030 [03] Reversals @@ -4547,22 +4547,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4635,8 +4635,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4680,12 +4680,12 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -4730,22 +4730,22 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4827,8 +4827,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4872,12 +4872,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4922,22 +4922,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5020,8 +5020,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5058,15 +5058,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5111,22 +5111,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -5607,8 +5607,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 Composite Composite @@ -5649,15 +5649,15 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [03] Reversals @@ -5702,22 +5702,22 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.01 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5799,8 +5799,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5844,12 +5844,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5894,22 +5894,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5991,8 +5991,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6029,15 +6029,15 @@ All cycle Rw 0.0 9.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6082,22 +6082,22 @@ All cycle Rw 0.0 9.3 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -6206,8 +6206,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.78E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.017 0.0E+00 0.612E-02 -2.74 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.0 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.46 E-02 2.5 O 1 U[33] @@ -6251,12 +6251,12 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [03] Reversals @@ -6301,22 +6301,22 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.08 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6376,8 +6376,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -6426,12 +6426,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 -0.01 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.011 0.033 +[31] 0.016 0.012 0.034 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.011 0.033 +[31] 0.016 0.012 0.034 [03] Reversals @@ -6476,22 +6476,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6566,8 +6566,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6611,12 +6611,12 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [03] Reversals @@ -6661,22 +6661,22 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6754,8 +6754,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6796,15 +6796,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6849,22 +6849,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6947,8 +6947,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6985,15 +6985,15 @@ All cycle Rw 0.0 9.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7038,22 +7038,22 @@ All cycle Rw 0.0 9.3 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 diff --git a/test_suite/LINUXGHGUI.org/td-part.out b/test_suite/LINUXGHGUI.org/td-part.out index 39a1de31c..5d6e9f348 100644 --- a/test_suite/LINUXGHGUI.org/td-part.out +++ b/test_suite/LINUXGHGUI.org/td-part.out @@ -195,8 +195,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -235,15 +235,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -377,8 +377,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -420,15 +420,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -562,8 +562,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -600,15 +600,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18908,8 +18908,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -18948,15 +18948,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19090,8 +19090,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -19133,15 +19133,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19275,8 +19275,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -19313,15 +19313,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals diff --git a/test_suite/LINUXGHGUI.org/td-tors.out b/test_suite/LINUXGHGUI.org/td-tors.out index cc2c14f3a..68a3a3d0e 100644 --- a/test_suite/LINUXGHGUI.org/td-tors.out +++ b/test_suite/LINUXGHGUI.org/td-tors.out @@ -339,8 +339,8 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.65E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.65E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 2E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -380,12 +380,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.000 +[31] 0.007 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.001 0.000 +[31] 0.013 0.001 0.001 [03] Reversals @@ -430,22 +430,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.004 0.006 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #TORS @@ -464,18 +464,18 @@ O 8 1 1 0 0 0 0.3999 0.0622 0.3236 Variance-covariance matrix of selected atoms (x10^6) -[35] 14.20 -10.62 -3.1 6.24 -1.65 1.35 0.84 1.50 0.48 -[35] -10.62 33.13 3.7 -1.53 9.25 0.64 -1.43 -0.60 -4.49 -[35] -3.11 3.70 7.8 1.18 0.58 5.17 4.90 -0.37 6.40 -[35] 6.24 -1.53 1.1 5.02 -0.25 1.89 4.12 0.21 1.71 -[35] -1.65 9.25 0.5 -0.25 5.50 0.12 -0.18 3.79 -0.73 -[35] 1.35 0.64 5.1 1.89 0.12 4.85 2.32 -0.09 4.94 -[35] 0.84 -1.43 4.9 4.12 -0.18 2.32 9.92 -1.65 4.26 -[35] 1.50 -0.60 -0.3 0.21 3.79 -0.09 -1.65 9.74 2.16 -[35] 0.48 -4.49 6.4 1.71 -0.73 4.94 4.26 2.16 7.66 -[35] 5.43 5.48 0.8 4.96 0.76 1.87 0.88 1.07 0.13 -[35] 2.28 0.22 -0.9 0.27 4.25 -0.06 2.28 1.27 -0.68 -[35] 5.83 3.28 1.7 2.63 0.61 4.51 -1.70 -2.11 1.04 +[35] 14.20 -10.62 -3.11 6.25 -1.66 1.35 0.84 1.50 0.48 +[35] -10.62 33.14 3.71 -1.54 9.26 0.64 -1.43 -0.60 -4.50 +[35] -3.11 3.71 7.85 1.19 0.59 5.17 4.90 -0.37 6.41 +[35] 6.25 -1.54 1.19 5.02 -0.26 1.89 4.12 0.21 1.72 +[35] -1.66 9.26 0.59 -0.26 5.51 0.13 -0.19 3.80 -0.74 +[35] 1.35 0.64 5.17 1.89 0.13 4.86 2.32 -0.09 4.94 +[35] 0.84 -1.43 4.90 4.12 -0.19 2.32 9.92 -1.65 4.27 +[35] 1.50 -0.60 -0.37 0.21 3.80 -0.09 -1.65 9.75 2.16 +[35] 0.48 -4.50 6.41 1.72 -0.74 4.94 4.27 2.16 7.67 +[35] 5.43 5.48 0.83 4.96 0.76 1.88 0.89 1.08 0.13 +[35] 2.28 0.23 -0.92 0.28 4.25 -0.06 2.29 1.27 -0.69 +[35] 5.84 3.29 1.78 2.63 0.62 4.52 -1.71 -2.11 1.05 @@ -572,11 +572,11 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.58E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.58E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 Inversion method: Automatic -Block No 2. Single precision relative error: 3.90E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.90E-07 +[80a] Block No 2. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 52 parameters [64] The rms (shift/su) = 0. @@ -616,12 +616,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [03] Reversals @@ -666,52 +666,52 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] CU 1. 1.00 0.00 0.44 -0.08 0.54 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] O 2. 1.00 0.00 0.40 0.12 0.57 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.43 0.25 0.55 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] O 4. 1.00 0.00 0.49 0.26 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.39 0.39 0.58 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] O 10. 1.00 0.00 0.37 -0.20 0.63 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.000 0.000 +[31] 0.004 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #USE TORSION.DAT @@ -748,18 +748,18 @@ O 10 1 1 0 1 0 0.3764 0.7910 0.6334 Variance-covariance matrix of selected atoms (x10^6) -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 diff --git a/test_suite/LINUXGHGUI.org/td_rest.out b/test_suite/LINUXGHGUI.org/td_rest.out index 9b4436709..d6582f9c5 100644 --- a/test_suite/LINUXGHGUI.org/td_rest.out +++ b/test_suite/LINUXGHGUI.org/td_rest.out @@ -500,8 +500,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -539,15 +539,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -592,12 +592,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -814,8 +814,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -853,15 +853,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -906,12 +906,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1062,8 +1062,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1100,15 +1100,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1153,12 +1153,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1298,8 +1298,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1336,15 +1336,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1389,12 +1389,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1545,8 +1545,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.52E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.52E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 7 7 -0.025 0.0E+00 0.13 E-02 -18.8 C 7 U[11] [14] S/ESD 12 12 -0.011 0.0E+00 0.13 E-02 -8.3 C 7 U[12] @@ -1585,15 +1585,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,12 +1638,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1798,8 +1798,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.85E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 1 1 0.023 0.0E+00 0.12 E-02 18.1 O 6 U[11] [14] S/ESD 6 6 0.010 0.0E+00 0.12 E-02 8.0 O 6 U[12] @@ -1838,15 +1838,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1891,12 +1891,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.08 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2047,8 +2047,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9.36E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2085,15 +2085,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2138,12 +2138,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2283,8 +2283,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.93E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2321,15 +2321,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2374,12 +2374,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2532,10 +2532,10 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.56E-03 +[80a] Block No 1. Single precision relative error: 4E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 6.64E-12 -[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 6.64E-12 +[80a] Block No 1. Double precision relative error: 7E-12 +[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 7E-12 for 6 parameters [64] The rms (shift/su) = 0. @@ -2575,12 +2575,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.021 +[31] 0.011 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.027 +[31] 0.014 0.018 0.027 [03] Reversals @@ -2625,12 +2625,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.105 0.091 0.079 +[31] 0.105 0.091 0.080 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.124 0.108 0.081 +[31] 0.124 0.109 0.081 [84] Mean C-C su = 0.09 #CYCLENDS #CHECK HI @@ -2755,8 +2755,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.44E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6.44E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2796,12 +2796,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 -0.01 -0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.016 0.030 +[31] 0.011 0.017 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.023 0.041 +[31] 0.015 0.023 0.042 [03] Reversals @@ -2846,12 +2846,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.108 0.092 0.097 +[31] 0.108 0.093 0.097 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.106 0.047 +[31] 0.119 0.107 0.048 [84] Mean C-C su = 0.09 #CYCLENDS #SFLS @@ -2934,8 +2934,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 6.77E-04 +[80a] Block No 1. Single precision relative error: 7E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 7E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2975,12 +2975,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.001 0.006 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.002 0.008 +[31] 0.006 0.002 0.009 [03] Reversals @@ -3025,12 +3025,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.021 +[31] 0.024 0.021 0.022 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.024 0.010 +[31] 0.027 0.024 0.011 [84] Mean C-C su = 0.02 #CYCLENDS #CHECK HI diff --git a/test_suite/LINUXGHGUI.org/test-rest.out b/test_suite/LINUXGHGUI.org/test-rest.out index c5c3318f0..0ab1b92c1 100644 --- a/test_suite/LINUXGHGUI.org/test-rest.out +++ b/test_suite/LINUXGHGUI.org/test-rest.out @@ -308,8 +308,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.11E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 for 131 parameters [64] The rms (shift/su) = 1. @@ -349,12 +349,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.006 0.007 +[31] 0.014 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.016 0.015 +[31] 0.036 0.017 0.016 [03] Reversals @@ -399,102 +399,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.019 +[31] 0.023 0.022 0.019 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.027 0.026 0.025 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.024 0.024 +[31] 0.026 0.025 0.025 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.034 0.033 0.033 +[31] 0.034 0.033 0.034 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.027 +[31] 0.025 0.025 0.028 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.029 0.031 +[31] 0.033 0.030 0.032 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.032 +[31] 0.036 0.037 0.032 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.036 0.035 0.033 +[31] 0.037 0.035 0.034 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.017 +[31] 0.017 0.023 0.018 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -768,8 +768,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.45E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.45E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 121 parameters [64] The rms (shift/su) = 0. @@ -809,12 +809,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.007 0.006 +[31] 0.014 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.016 0.013 +[31] 0.037 0.017 0.013 [03] Reversals @@ -859,102 +859,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.017 +[31] 0.021 0.020 0.017 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.023 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.022 0.022 +[31] 0.023 0.022 0.022 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.029 +[31] 0.030 0.030 0.030 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.024 +[31] 0.022 0.022 0.025 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.026 0.028 +[31] 0.029 0.026 0.028 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.031 0.032 0.028 +[31] 0.032 0.033 0.029 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.030 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.015 +[31] 0.015 0.021 0.016 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -1134,8 +1134,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-04 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3.01E-04 +[80a] Block No 1. Single precision relative error: 3E-04 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3E-04 [14] S/ESD 98 98 -0.010 0.1E+01 0.10 E-01 -1.0 H 101 X for 121 parameters @@ -1176,12 +1176,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.013 0.021 +[31] 0.023 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.050 0.043 0.081 +[31] 0.050 0.044 0.081 [03] Reversals @@ -1226,102 +1226,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.003 0.004 0.004 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.007 0.003 0.013 +[31] 0.008 0.003 0.014 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.038 0.036 0.037 +[31] 0.038 0.037 0.037 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.037 0.036 0.035 +[31] 0.037 0.036 0.036 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.01 0.00 0.00 0.01 -[31] 0.049 0.047 0.048 +[31] 0.050 0.048 0.049 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.039 +[31] 0.036 0.036 0.040 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.017 0.027 0.036 +[31] 0.017 0.028 0.036 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.025 0.030 +[31] 0.031 0.026 0.030 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.028 0.025 0.039 +[31] 0.028 0.025 0.040 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.034 0.034 +[31] 0.035 0.034 0.034 [84] Mean C-C su = 0.00 #CYCLENDS #END diff --git a/test_suite/LINUXGHGUI.org/test1.out b/test_suite/LINUXGHGUI.org/test1.out index e4139c3f3..b8d6c09e5 100644 --- a/test_suite/LINUXGHGUI.org/test1.out +++ b/test_suite/LINUXGHGUI.org/test1.out @@ -469,8 +469,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +510,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +560,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +692,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +737,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +787,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +919,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +957,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1010,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1155,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1199,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1249,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1381,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1426,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1476,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1608,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1653,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1703,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1835,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1877,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1930,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2077,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2130,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2183,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2315,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2361,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2414,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3967,8 +3967,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.83E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4008,12 +4008,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -4058,57 +4058,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4190,8 +4190,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.78E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4235,12 +4235,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -4285,57 +4285,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4417,8 +4417,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4462,12 +4462,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4512,57 +4512,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4657,8 +4657,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.025 0.0E+00 0.143E-01 1.76 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.7 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.0 N 6 U[ISO] @@ -4701,12 +4701,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4751,57 +4751,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4883,8 +4883,8 @@ LS-scale= 1.482 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -4928,12 +4928,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4978,57 +4978,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5110,8 +5110,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5155,12 +5155,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -5205,57 +5205,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5337,8 +5337,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5379,15 +5379,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -5432,57 +5432,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5579,8 +5579,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1E-05 S/ESD 1 1 0.023 0.0E+00 0.140E-01 1.62 SCALE [13] LARGE 2 2 46.8 0.0E+00 0.9 E+01 4.8 EXTPARAM [14] S/ESD 15 15 0.019 0.0E+00 0.38 E-02 5.0 O 3 U[11] @@ -5633,15 +5633,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 23.43 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 33. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 46. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5686,57 +5686,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5818,8 +5818,8 @@ LS-scale= 1.510 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.24E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.24E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 S/ESD 1 1 0.020 0.9E+00 0.128E-01 1.59 SCALE [44] Resetting shift for Extinction Shift= 46.0 Esd= 9.6 New shift= 9.37 [13] LARGE 2 2 9.3 0.1E+01 0.9 E+01 4.7 EXTPARAM @@ -5863,15 +5863,15 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [38] Mean 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 6. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 9. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5916,57 +5916,57 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -6474,8 +6474,8 @@ LS-scale= 1.531 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.034 0.0E+00 0.111E-01 -3.06 SCALE [14] S/ESD 22 22 -0.041 0.0E+00 0.41 E-02 -10.1 C 4 U[ISO] [14] S/ESD 43 43 0.010 0.0E+00 0.11 E-02 8.6 O 8 U[ISO] @@ -6515,15 +6515,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.002 0.001 +[31] -0.000 0.003 0.001 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.009 +[31] 0.006 0.006 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.017 +[31] 0.012 0.013 0.017 [03] Reversals @@ -6568,57 +6568,57 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.03 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.010 0.009 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6700,8 +6700,8 @@ LS-scale= 1.497 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.28E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6742,15 +6742,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.007 +[31] 0.002 0.004 0.008 [03] Reversals @@ -6795,57 +6795,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6927,8 +6927,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.27E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6972,12 +6972,12 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.001 [03] Reversals @@ -7022,57 +7022,57 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -7483,8 +7483,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -7525,12 +7525,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -7575,57 +7575,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -7707,8 +7707,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7752,12 +7752,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -7802,57 +7802,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7934,8 +7934,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7979,12 +7979,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -8029,57 +8029,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8174,8 +8174,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -8217,12 +8217,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -8267,57 +8267,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8399,8 +8399,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8444,12 +8444,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8494,57 +8494,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8626,8 +8626,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8671,12 +8671,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -8721,57 +8721,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8853,8 +8853,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8891,15 +8891,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8944,57 +8944,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9091,8 +9091,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -9146,15 +9146,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9199,57 +9199,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9331,8 +9331,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -9377,15 +9377,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9430,57 +9430,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -9983,8 +9983,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -10023,15 +10023,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -10076,57 +10076,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10208,8 +10208,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10250,15 +10250,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -10303,57 +10303,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10435,8 +10435,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10480,12 +10480,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -10530,57 +10530,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -10991,8 +10991,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -11033,12 +11033,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -11083,57 +11083,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -11215,8 +11215,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11260,12 +11260,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -11310,57 +11310,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11442,8 +11442,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11487,12 +11487,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -11537,57 +11537,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11682,8 +11682,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -11725,12 +11725,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -11775,57 +11775,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11907,8 +11907,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -11952,12 +11952,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -12002,57 +12002,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12134,8 +12134,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12179,12 +12179,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -12229,57 +12229,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12361,8 +12361,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12399,15 +12399,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12452,57 +12452,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -12599,8 +12599,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -12654,15 +12654,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12707,57 +12707,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12839,8 +12839,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -12885,15 +12885,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12938,57 +12938,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -13491,8 +13491,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -13531,15 +13531,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -13584,57 +13584,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13716,8 +13716,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13758,15 +13758,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -13811,57 +13811,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13943,8 +13943,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13988,12 +13988,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14038,57 +14038,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/LINUXGHGUI.org/test2.out b/test_suite/LINUXGHGUI.org/test2.out index b0732f127..def774819 100644 --- a/test_suite/LINUXGHGUI.org/test2.out +++ b/test_suite/LINUXGHGUI.org/test2.out @@ -905,8 +905,8 @@ LS-scale= 4.136 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.82E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.82E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 [13] LARGE 1 1 1.4 0.0E+00 0.3 E+00 3.7 SCALE for 41 parameters @@ -944,15 +944,15 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [38] Mean 1.41 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.000 0.007 +[31] -0.001 0.001 0.008 [71] R.M.S. 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.036 0.021 +[31] 0.019 0.036 0.022 [70] Maximum 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.089 0.046 +[31] 0.041 0.089 0.047 [03] Reversals @@ -997,52 +997,52 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.015 +[31] 0.016 0.014 0.015 [37] C 9. 1.00 1.00 0.01 0.09 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.025 0.023 0.022 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1124,8 +1124,8 @@ LS-scale= 4.303 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.25E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.25E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1169,12 +1169,12 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.004 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.015 +[31] 0.010 0.015 0.015 [03] Reversals @@ -1219,52 +1219,52 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.02 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.019 +[31] 0.021 0.020 0.019 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1346,8 +1346,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1388,15 +1388,15 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.001 0.003 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.006 0.002 +[31] 0.001 0.007 0.002 [03] Reversals @@ -1441,52 +1441,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1568,8 +1568,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1613,12 +1613,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -1663,52 +1663,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1790,8 +1790,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1828,15 +1828,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -1881,52 +1881,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2009,8 +2009,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -2047,15 +2047,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2100,52 +2100,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -2242,8 +2242,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.26E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.26E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 42 42 0.010 0.0E+00 0.60 E-02 1.7 C 5 U[22] [14] S/ESD 52 52 -0.010 0.0E+00 0.58 E-02 -1.7 C 6 U[33] [14] S/ESD 59 59 0.022 0.0E+00 0.66 E-02 3.3 C 7 U[11] @@ -2295,12 +2295,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.03 0.01 0.01 0.01 0.01 -[31] 0.012 0.005 0.003 +[31] 0.012 0.006 0.004 [03] Reversals @@ -2345,52 +2345,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.03 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2472,8 +2472,8 @@ LS-scale= 4.287 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.36E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 78 78 0.019 0.5E+00 0.12 E-01 1.5 C 9 U[22] for 91 parameters @@ -2518,12 +2518,12 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.007 [03] Reversals @@ -2568,52 +2568,52 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.012 +[31] 0.015 0.012 0.012 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.013 0.014 0.011 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.016 +[31] 0.014 0.020 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2695,8 +2695,8 @@ LS-scale= 4.308 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2740,12 +2740,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.002 0.004 0.003 [03] Reversals @@ -2790,52 +2790,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.022 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2917,8 +2917,8 @@ LS-scale= 4.311 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2962,12 +2962,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [03] Reversals @@ -3012,52 +3012,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3139,8 +3139,8 @@ LS-scale= 4.312 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.38E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.38E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -3180,12 +3180,12 @@ All cycle Rw 0.0 44. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -3230,52 +3230,52 @@ All cycle Rw 0.0 44. 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -3298,36 +3298,36 @@ All cycle Rw 0.0 44. 0.10E+03 Reflections with greatest unexpected extra intensity: h k l (Fo2-Fc2)/s Fo^2 Fc^2 Sigma -[94] 1 5 2 56.18 2883.1 8. 51.2 -[94] 2 3 4 54.41 7139.2 294. 125.8 -[94] 0 1 3 53.85 1068.6 3. 19.8 -[94] 1 4 0 51.95 14475.9 1210. 255.3 -[94] 2 2 1 51.48 1019.6 161. 16.7 -[94] -1 3 2 49.97 27836.6 21. 556.6 -[94] 2 1 5 49.85 3549.5 334. 64.5 -[94] 1 1 7 49.63 1803.8 10. 36.1 -[94] -1 3 1 48.26 16032.5 49. 331.2 -[94] 1 2 4 48.04 7929.7 315. 158.5 -[94] 4 2 2 47.95 3638.6 18. 75.5 -[94] 1 6 0 46.90 1748.1 476. 27.1 -[94] 1 7 3 46.43 4585.1 7. 98.6 -[94] -1 4 4 45.81 2768.0 249. 55.0 -[94] 1 4 5 45.35 2854.0 6. 62.8 -[94] 1 7 1 45.31 5566.9 195. 118.5 -[94] 1 3 6 45.25 10318.9 1924. 185.5 -[94] -1 5 1 45.05 1132.8 176. 21.2 -[94] 2 1 3 42.93 4017.0 1240. 64.7 -[94] 3 2 1 42.93 18145.0 5482. 295.0 -[94] 3 1 1 42.73 10184.8 3721. 151.3 -[94] -1 7 3 41.11 3420.5 628. 67.9 -[94] 1 3 2 40.51 21453.3 8853. 311.1 -[94] 3 1 7 39.98 2458.5 93. 59.1 -[94] -2 1 4 39.49 6914.0 13. 174.7 -[94] 3 3 6 39.35 9058.6 218. 224.7 -[94] -1 1 6 39.09 16077.7 3226. 328.7 -[94] -1 4 3 39.09 27203.2 6960. 517.8 -[94] 5 1 0 39.07 4400.8 544. 98.7 -[94] -2 1 2 38.92 5904.6 1166. 121.7 +[94] 1 5 2 56.18 2883.1 9 51.2 +[94] 2 3 4 54.41 7139.2 294 125.8 +[94] 0 1 3 53.85 1068.6 3 19.8 +[94] 1 4 0 51.95 14475.9 1210 255.3 +[94] 2 2 1 51.48 1019.6 161 16.7 +[94] -1 3 2 49.97 27836.6 21 556.6 +[94] 2 1 5 49.85 3549.5 334 64.5 +[94] 1 1 7 49.63 1803.8 11 36.1 +[94] -1 3 1 48.26 16032.5 49 331.2 +[94] 1 2 4 48.04 7929.7 315 158.5 +[94] 4 2 2 47.95 3638.6 19 75.5 +[94] 1 6 0 46.90 1748.1 477 27.1 +[94] 1 7 3 46.43 4585.1 8 98.6 +[94] -1 4 4 45.81 2768.0 250 55.0 +[94] 1 4 5 45.35 2854.0 6 62.8 +[94] 1 7 1 45.31 5566.9 195 118.5 +[94] 1 3 6 45.25 10318.9 1924 185.5 +[94] -1 5 1 45.05 1132.8 177 21.2 +[94] 2 1 3 42.93 4017.0 1241 64.7 +[94] 3 2 1 42.93 18145.0 5483 295.0 +[94] 3 1 1 42.73 10184.8 3721 151.3 +[94] -1 7 3 41.11 3420.5 628 67.9 +[94] 1 3 2 40.51 21453.3 8854 311.1 +[94] 3 1 7 39.98 2458.5 94 59.1 +[94] -2 1 4 39.49 6914.0 14 174.7 +[94] 3 3 6 39.35 9058.6 218 224.7 +[94] -1 1 6 39.09 16077.7 3227 328.7 +[94] -1 4 3 39.09 27203.2 6961 517.8 +[94] 5 1 0 39.07 4400.8 544 98.7 +[94] -2 1 2 38.92 5904.6 1167 121.7 Each set of indices above is transformed by the printed rotation matrix. How far the transformed indices are @@ -3714,8 +3714,8 @@ LS-scale= 4.747 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 2 @@ -3757,12 +3757,12 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.018 +[31] 0.020 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.028 0.038 +[31] 0.042 0.028 0.038 [03] Reversals @@ -3818,52 +3818,52 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.012 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3945,8 +3945,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 1 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 2 @@ -3992,12 +3992,12 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -4053,52 +4053,52 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4180,8 +4180,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4225,12 +4225,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -4286,52 +4286,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4413,8 +4413,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4458,12 +4458,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -4519,52 +4519,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4646,8 +4646,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4688,15 +4688,15 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -4752,52 +4752,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -4904,8 +4904,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 1. @@ -4945,12 +4945,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [03] Reversals @@ -5006,52 +5006,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5133,8 +5133,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5175,15 +5175,15 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -5239,52 +5239,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5366,8 +5366,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5404,15 +5404,15 @@ All cycle Rw 0.0 18. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5468,52 +5468,52 @@ All cycle Rw 0.0 18. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -5621,8 +5621,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.7 C 9 U[ISO] for 47 parameters @@ -5663,12 +5663,12 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.005 +[31] 0.009 0.006 0.005 [03] Reversals @@ -5724,52 +5724,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5851,8 +5851,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -5893,15 +5893,15 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -5957,52 +5957,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6084,8 +6084,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6126,15 +6126,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6190,52 +6190,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6317,8 +6317,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6359,15 +6359,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6423,52 +6423,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6550,8 +6550,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6592,15 +6592,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6656,52 +6656,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -6809,8 +6809,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.026 0.0E+00 0.28 E-02 9.3 C 7 U[11] [14] S/ESD 60 60 -0.015 0.0E+00 0.28 E-02 -5.3 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -6861,12 +6861,12 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.005 0.003 +[31] 0.004 0.006 0.003 [03] Reversals @@ -6922,52 +6922,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.03 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7049,8 +7049,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.89E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 5.0 C 7 U[11] [14] S/ESD 78 78 0.015 0.5E+00 0.32 E-02 4.8 C 9 U[22] @@ -7096,12 +7096,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -7157,52 +7157,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7284,8 +7284,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.69E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.69E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7329,12 +7329,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -7390,52 +7390,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7517,8 +7517,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.93E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.93E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7562,12 +7562,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -7623,52 +7623,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7750,8 +7750,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.99E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.99E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7792,15 +7792,15 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7856,52 +7856,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -8225,8 +8225,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.89E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.024 0.0E+00 0.964E-02 -2.47 SCALE for 92 parameters @@ -8267,12 +8267,12 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.006 +[31] 0.010 0.011 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.025 0.016 +[31] 0.018 0.025 0.016 [03] Reversals @@ -8328,52 +8328,52 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8455,8 +8455,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.34 SCALE for 92 parameters @@ -8501,12 +8501,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -8562,52 +8562,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8689,8 +8689,8 @@ LS-scale= 4.743 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.29 SCALE for 92 parameters @@ -8732,15 +8732,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8796,52 +8796,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8923,8 +8923,8 @@ LS-scale= 4.739 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.031 0.1E+01 0.960E-02 -3.23 SCALE for 92 parameters @@ -8966,15 +8966,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9030,52 +9030,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9157,8 +9157,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.030 0.1E+01 0.960E-02 -3.17 SCALE for 92 parameters @@ -9200,15 +9200,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9264,52 +9264,52 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -9657,8 +9657,8 @@ LS-scale= 4.733 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.20E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.20E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.5E+00 0.965E-02 -1.68 SCALE for 92 parameters @@ -9696,15 +9696,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.002 [03] Reversals @@ -9760,52 +9760,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9887,8 +9887,8 @@ LS-scale= 4.731 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.97E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.97E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.70 SCALE for 92 parameters @@ -9930,15 +9930,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9994,52 +9994,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10121,8 +10121,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.67 SCALE for 92 parameters @@ -10164,15 +10164,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10228,52 +10228,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10355,8 +10355,8 @@ LS-scale= 4.728 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.64 SCALE for 92 parameters @@ -10398,15 +10398,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10462,52 +10462,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10589,8 +10589,8 @@ LS-scale= 4.726 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.62 SCALE for 92 parameters @@ -10632,15 +10632,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10696,52 +10696,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10978,8 +10978,8 @@ LS-scale= 4.724 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.59 SCALE for 92 parameters @@ -11017,15 +11017,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11081,52 +11081,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11209,8 +11209,8 @@ LS-scale= 4.723 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.56 SCALE for 92 parameters @@ -11248,15 +11248,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11312,52 +11312,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11440,8 +11440,8 @@ LS-scale= 4.721 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.53 SCALE for 92 parameters @@ -11479,15 +11479,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11543,52 +11543,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11671,8 +11671,8 @@ LS-scale= 4.720 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.51 SCALE for 92 parameters @@ -11710,15 +11710,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11774,52 +11774,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11902,8 +11902,8 @@ LS-scale= 4.718 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.48 SCALE for 92 parameters @@ -11941,15 +11941,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12005,52 +12005,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12133,8 +12133,8 @@ LS-scale= 4.717 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.45 SCALE for 92 parameters @@ -12172,15 +12172,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12236,52 +12236,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12872,8 +12872,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.11E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.13 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -12916,12 +12916,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -12977,52 +12977,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13104,8 +13104,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.85E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.62 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 2 @@ -13152,12 +13152,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.007 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.005 +[31] 0.019 0.004 0.005 [03] Reversals @@ -13213,52 +13213,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13340,8 +13340,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.67 SCALE for 32 parameters @@ -13386,12 +13386,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.002 0.002 [03] Reversals @@ -13447,52 +13447,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13574,8 +13574,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.83E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.44 SCALE for 32 parameters @@ -13620,12 +13620,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -13681,52 +13681,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13808,8 +13808,8 @@ LS-scale= 4.843 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -13850,15 +13850,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -13914,52 +13914,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -14066,8 +14066,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.08 SCALE for 33 parameters @@ -14105,15 +14105,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14169,52 +14169,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14296,8 +14296,8 @@ LS-scale= 4.831 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.51 SCALE for 33 parameters @@ -14339,15 +14339,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -14403,52 +14403,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14530,8 +14530,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14572,15 +14572,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14636,52 +14636,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14763,8 +14763,8 @@ LS-scale= 4.810 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14805,15 +14805,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14869,52 +14869,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14996,8 +14996,8 @@ LS-scale= 4.804 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -15038,15 +15038,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15102,52 +15102,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -15255,8 +15255,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.4 C 9 U[ISO] @@ -15298,12 +15298,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [03] Reversals @@ -15359,52 +15359,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15486,8 +15486,8 @@ LS-scale= 4.781 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -15532,12 +15532,12 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -15593,52 +15593,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15720,8 +15720,8 @@ LS-scale= 4.764 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -15763,15 +15763,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -15827,52 +15827,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15954,8 +15954,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -15996,15 +15996,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -16060,52 +16060,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16187,8 +16187,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -16229,15 +16229,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16293,52 +16293,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -16446,8 +16446,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.02E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.02E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.7 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -16497,12 +16497,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.003 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -16558,52 +16558,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16685,8 +16685,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.65E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.65E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.5 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -16732,12 +16732,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.002 [03] Reversals @@ -16793,52 +16793,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16920,8 +16920,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -16965,12 +16965,12 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -17026,52 +17026,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17153,8 +17153,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17198,12 +17198,12 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -17259,52 +17259,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17386,8 +17386,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.61E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.61E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17424,15 +17424,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17488,52 +17488,52 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -17857,8 +17857,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.50E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.50E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.18 SCALE for 92 parameters @@ -17899,12 +17899,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -17960,52 +17960,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18087,8 +18087,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.70E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.70E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.04 SCALE for 92 parameters @@ -18130,15 +18130,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -18194,52 +18194,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18321,8 +18321,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.78E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.78E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18363,15 +18363,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -18427,52 +18427,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18554,8 +18554,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18596,15 +18596,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18660,52 +18660,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18787,8 +18787,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18825,15 +18825,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18889,52 +18889,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -19282,8 +19282,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19323,12 +19323,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -19384,52 +19384,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19511,8 +19511,8 @@ LS-scale= 4.637 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19553,15 +19553,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19617,52 +19617,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19744,8 +19744,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19782,15 +19782,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19846,52 +19846,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20128,8 +20128,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20166,15 +20166,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20230,52 +20230,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20358,8 +20358,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20396,15 +20396,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20460,52 +20460,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20588,8 +20588,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20626,15 +20626,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20690,52 +20690,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20818,8 +20818,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20856,15 +20856,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20920,52 +20920,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21048,8 +21048,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21086,15 +21086,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21150,52 +21150,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21278,8 +21278,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21316,15 +21316,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21380,52 +21380,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21965,8 +21965,8 @@ LS-scale= 4.646 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.30E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.30E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.0E+00 0.989E-02 1.01 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 2 @@ -22009,12 +22009,12 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.017 +[31] 0.021 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.028 0.036 +[31] 0.043 0.028 0.036 [03] Reversals @@ -22070,52 +22070,52 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.011 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22197,8 +22197,8 @@ LS-scale= 4.647 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.49 SCALE S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 1 S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 2 @@ -22245,12 +22245,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -22306,52 +22306,52 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22433,8 +22433,8 @@ LS-scale= 4.649 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.53 SCALE for 32 parameters @@ -22479,12 +22479,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -22540,52 +22540,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22667,8 +22667,8 @@ LS-scale= 4.650 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.52 SCALE for 32 parameters @@ -22713,12 +22713,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -22774,52 +22774,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22901,8 +22901,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.50 SCALE for 32 parameters @@ -22944,15 +22944,15 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -23008,52 +23008,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -23160,8 +23160,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 2. @@ -23201,12 +23201,12 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -23262,52 +23262,52 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23389,8 +23389,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.20E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.20E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23431,15 +23431,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -23495,52 +23495,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23622,8 +23622,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23664,15 +23664,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23728,52 +23728,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23855,8 +23855,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23897,15 +23897,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23961,52 +23961,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24088,8 +24088,8 @@ LS-scale= 4.656 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -24130,15 +24130,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -24194,52 +24194,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -24347,8 +24347,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.66E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.020 0.0E+00 0.21 E-02 -9.5 C 9 U[ISO] for 47 parameters @@ -24389,12 +24389,12 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.002 [70] Maximum 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.011 0.007 0.006 [03] Reversals @@ -24450,52 +24450,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 -0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24577,8 +24577,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24619,15 +24619,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.004 0.004 0.002 [03] Reversals @@ -24683,52 +24683,52 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24810,8 +24810,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.08E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.08E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24852,15 +24852,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -24916,52 +24916,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25043,8 +25043,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25085,15 +25085,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25149,52 +25149,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25276,8 +25276,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25318,15 +25318,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25382,52 +25382,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -25535,8 +25535,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.28 E-02 9.1 C 7 U[11] [14] S/ESD 60 60 -0.014 0.0E+00 0.28 E-02 -5.2 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -25587,12 +25587,12 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.006 0.003 +[31] 0.004 0.006 0.004 [03] Reversals @@ -25648,52 +25648,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25775,8 +25775,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.91E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.91E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 4.8 C 7 U[11] [14] S/ESD 78 78 0.015 0.4E+00 0.31 E-02 4.7 C 9 U[22] @@ -25822,12 +25822,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -25883,52 +25883,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26010,8 +26010,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.64E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.64E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26055,12 +26055,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -26116,52 +26116,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26243,8 +26243,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.87E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.87E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26288,12 +26288,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -26349,52 +26349,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26476,8 +26476,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.92E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.92E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26518,15 +26518,15 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -26582,52 +26582,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -26951,8 +26951,8 @@ LS-scale= 4.660 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.94E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.94E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 2. @@ -26992,12 +26992,12 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.015 +[31] 0.017 0.024 0.015 [03] Reversals @@ -27053,52 +27053,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27180,8 +27180,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.15 SCALE for 92 parameters @@ -27226,12 +27226,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -27287,52 +27287,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27414,8 +27414,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.11 SCALE for 92 parameters @@ -27457,15 +27457,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27521,52 +27521,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27648,8 +27648,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.957E-02 -1.07 SCALE for 92 parameters @@ -27691,15 +27691,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27755,52 +27755,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27882,8 +27882,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.956E-02 -1.04 SCALE for 92 parameters @@ -27925,15 +27925,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27989,52 +27989,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -28386,8 +28386,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.21E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.21E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28427,12 +28427,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -28488,52 +28488,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28615,8 +28615,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.03E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.03E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28657,15 +28657,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28721,52 +28721,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28848,8 +28848,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28890,15 +28890,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28954,52 +28954,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29081,8 +29081,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29123,15 +29123,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29187,52 +29187,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29314,8 +29314,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29356,15 +29356,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29420,52 +29420,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29702,8 +29702,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29740,15 +29740,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29804,52 +29804,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29932,8 +29932,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29970,15 +29970,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30034,52 +30034,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30162,8 +30162,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30200,15 +30200,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30264,52 +30264,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30392,8 +30392,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30430,15 +30430,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30494,52 +30494,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30622,8 +30622,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30660,15 +30660,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30724,52 +30724,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30852,8 +30852,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30890,15 +30890,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30954,52 +30954,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -31540,8 +31540,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.09E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.11 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -31584,12 +31584,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -31645,52 +31645,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31772,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.89E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.60 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 2 @@ -31820,12 +31820,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.008 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.004 +[31] 0.018 0.004 0.005 [03] Reversals @@ -31881,52 +31881,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32008,8 +32008,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.86E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.86E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.65 SCALE for 32 parameters @@ -32054,12 +32054,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -32115,52 +32115,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32242,8 +32242,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.43 SCALE for 32 parameters @@ -32288,12 +32288,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -32349,52 +32349,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32476,8 +32476,8 @@ LS-scale= 4.842 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -32518,15 +32518,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -32582,52 +32582,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -32734,8 +32734,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.07 SCALE for 33 parameters @@ -32773,15 +32773,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32837,52 +32837,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32964,8 +32964,8 @@ LS-scale= 4.830 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.48E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.48E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.50 SCALE for 33 parameters @@ -33007,15 +33007,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -33071,52 +33071,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33198,8 +33198,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33240,15 +33240,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33304,52 +33304,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33431,8 +33431,8 @@ LS-scale= 4.809 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33473,15 +33473,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33537,52 +33537,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33664,8 +33664,8 @@ LS-scale= 4.803 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33706,15 +33706,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33770,52 +33770,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -33923,8 +33923,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.5 C 9 U[ISO] @@ -33966,12 +33966,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.004 0.005 +[31] 0.010 0.005 0.005 [03] Reversals @@ -34027,52 +34027,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34154,8 +34154,8 @@ LS-scale= 4.780 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -34197,15 +34197,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.001 +[31] 0.004 0.003 0.001 [03] Reversals @@ -34261,52 +34261,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34388,8 +34388,8 @@ LS-scale= 4.763 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -34431,15 +34431,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -34495,52 +34495,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34622,8 +34622,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34664,15 +34664,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -34728,52 +34728,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34855,8 +34855,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34897,15 +34897,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -34961,52 +34961,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -35114,8 +35114,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.03E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.03E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.6 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -35165,12 +35165,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.004 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -35226,52 +35226,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35353,8 +35353,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.66E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.66E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.4 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -35400,12 +35400,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.003 [03] Reversals @@ -35461,52 +35461,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35588,8 +35588,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35630,15 +35630,15 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.002 0.002 0.001 [03] Reversals @@ -35694,52 +35694,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35821,8 +35821,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35863,15 +35863,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -35927,52 +35927,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36054,8 +36054,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.62E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.62E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -36092,15 +36092,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -36156,52 +36156,52 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -36525,8 +36525,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.51E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 9E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.16 SCALE for 92 parameters @@ -36567,12 +36567,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -36628,52 +36628,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36755,8 +36755,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.71E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.71E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.03 SCALE for 92 parameters @@ -36798,15 +36798,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -36862,52 +36862,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36989,8 +36989,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37031,15 +37031,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37095,52 +37095,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37222,8 +37222,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37264,15 +37264,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37328,52 +37328,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37455,8 +37455,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37493,15 +37493,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37557,52 +37557,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -37950,8 +37950,8 @@ LS-scale= 4.629 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -37991,12 +37991,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -38052,52 +38052,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38179,8 +38179,8 @@ LS-scale= 4.636 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38221,15 +38221,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38285,52 +38285,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38412,8 +38412,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38450,15 +38450,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38514,52 +38514,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -38796,8 +38796,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38834,15 +38834,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38898,52 +38898,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39026,8 +39026,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39064,15 +39064,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39128,52 +39128,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39256,8 +39256,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39294,15 +39294,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39358,52 +39358,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39486,8 +39486,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39524,15 +39524,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39588,52 +39588,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39716,8 +39716,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39754,15 +39754,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39818,52 +39818,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39946,8 +39946,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39984,15 +39984,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -40048,52 +40048,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS diff --git a/test_suite/LINUXGHGUI.org/test3.out b/test_suite/LINUXGHGUI.org/test3.out index 7f716ff9c..75cfed0ad 100644 --- a/test_suite/LINUXGHGUI.org/test3.out +++ b/test_suite/LINUXGHGUI.org/test3.out @@ -4754,9 +4754,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.86 -2.28 1.2 0.03 -0.00 0.01 0.01 0.05 -0.04 -[35] -2.28 12.59 0.4 -0.00 0.05 -0.00 -0.03 -0.05 0.07 -[35] 1.25 0.48 1.5 0.01 -0.00 0.06 -0.01 0.02 0.03 +[35] -0.87 -2.29 1.25 0.04 -0.01 0.01 0.02 0.05 -0.05 +[35] -2.29 12.60 0.48 -0.01 0.06 -0.00 -0.03 -0.06 0.07 +[35] 1.25 0.48 1.57 0.01 -0.00 0.06 -0.01 0.02 0.04 @@ -4781,9 +4781,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.03 0.02 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 -0.03 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 -0.07 -0.06 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.03 0.03 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.01 0.02 -0.04 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 -0.07 -0.06 -0.06 @@ -4802,9 +4802,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.00 0.00 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 0.00 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 0.00 0.00 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.00 0.00 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.00 0.02 0.00 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 0.00 0.00 -0.06 @@ -4915,9 +4915,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 16.80 -4.91 -7.3 0.03 -0.00 -0.00 -0.12 -0.07 0.28 -[35] -4.91 69.40 21.5 -0.00 0.03 0.00 0.44 0.07 -0.26 -[35] -7.37 21.55 66.2 -0.00 0.00 0.05 -0.03 0.08 0.05 +[35] 16.80 -4.92 -7.38 0.03 -0.00 -0.01 -0.12 -0.08 0.29 +[35] -4.92 69.40 21.55 -0.00 0.04 0.00 0.44 0.07 -0.27 +[35] -7.38 21.55 66.20 -0.01 0.00 0.05 -0.04 0.09 0.05 @@ -4942,9 +4942,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.25 -0.15 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 -0.29 0.15 -0.19 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 -0.28 0.24 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.01 -0.07 0.26 -0.16 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 -0.29 0.15 -0.19 +[35] 0.00 0.00 90.43 0.01 -0.01 0.05 -0.28 0.24 -0.08 @@ -4963,9 +4963,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.00 0.00 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 0.00 0.15 0.00 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 0.00 0.00 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.00 -0.07 0.00 0.00 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 0.00 0.15 0.00 +[35] 0.00 0.00 90.43 0.00 -0.01 0.05 0.00 0.00 -0.08 @@ -5329,8 +5329,8 @@ AZIMUTH = -73.48 AZIMUTH /100 = -0.7348 Transformation to crystal fractions w.r.t. centroid from best plane co-ordinates in angstrom and fractions -[31] -0.015 -0.115 -0.067 -[31] -0.111 -0.037 -0.026 +[31] -0.015 -0.116 -0.067 +[31] -0.111 -0.038 -0.026 [85] 0.00 0.03 -0.04 0.03 0.50 -0.87 @@ -5473,7 +5473,7 @@ AZIMUTH = -52.16 AZIMUTH /100 = -0.5216 [85] -0.05 0.12 -0.02 -0.46 1.03 -0.18 [85] 0.07 0.09 -0.03 0.69 0.88 -0.24 -[31] -0.004 -0.010 -0.049 +[31] -0.004 -0.010 -0.049 @@ -5546,7 +5546,7 @@ AZIMUTH = 44.42 AZIMUTH /100 = 0.4442 [85] -0.05 0.12 -0.01 -0.46 1.04 -0.09 [85] 0.07 0.09 -0.02 0.69 0.90 -0.17 -[31] -0.004 -0.006 -0.049 +[31] -0.004 -0.006 -0.050 @@ -5852,8 +5852,8 @@ LS-scale= 12.394 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.44E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4.44E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4E-05 S/ESD 1 1 -1.155 0.0E+00 0.628E+00 -1.84 SCALE [14a] LARGE 2 2 -0.192 0.0E+00 0.70 E-01 -2.7 SI 1 U[11] Composite @@ -5928,15 +5928,15 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [38] Mean -0.60 0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.07 -0.00 -0.00 -0.02 -[31] 0.053 0.014 0.027 +[31] 0.054 0.014 0.027 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.08 0.02 0.11 0.00 0.01 0.03 -[31] 0.067 0.019 0.046 +[31] 0.068 0.019 0.047 [70] Maximum 1. 0.00 0.00 0.01 0.00 0.01 0.19 0.03 0.26 0.01 0.01 0.06 -[31] 0.126 0.025 0.085 +[31] 0.127 0.026 0.086 [03] Reversals @@ -5992,37 +5992,37 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [37] SI 1. 0.16 0.00 0.00 0.00 0.00 -0.17 [37] 0.00 0.00 0.00 0.00 -0.19 -0.19 -0.26 0.00 0.00 -0.09 [37] 0.00 0.00 0.00 0.00 0.07 0.07 0.13 0.00 0.00 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 0.33 0.00 0.33 0.66 0.51 -0.04 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.11 0.00 0.00 -0.02 [37] 0.00 0.00 0.00 0.02 0.02 0.02 0.04 0.00 0.00 0.01 -[31] 0.000 0.000 0.107 +[31] 0.000 0.000 0.107 [37] NA 1. 0.50 0.00 0.39 0.39 0.00 0.00 [37] 0.00 0.01 0.01 0.00 -0.02 -0.02 -0.06 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.03 -[31] 0.074 0.074 0.000 +[31] 0.075 0.075 0.000 [37] NA 2. 0.50 0.00 0.71 0.71 0.50 -0.03 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.10 0.00 0.00 -0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.071 0.071 0.000 +[31] 0.071 0.071 0.000 [37] F 1. 1.00 0.00 0.09 -0.09 0.80 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.03 0.03 0.01 -[31] 0.069 0.068 0.040 +[31] 0.069 0.068 0.040 [37] F 2. 1.00 0.00 0.44 -0.39 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.01 0.02 -[31] 0.045 0.050 0.039 +[31] 0.046 0.050 0.040 [37] F 3. 1.00 0.00 0.23 -0.25 0.32 0.01 [37] 0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.02 0.02 -[31] 0.055 0.058 0.041 +[31] 0.056 0.059 0.042 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [37] SI 1. -0.23 -0.17 -0.17 -0.19 -0.19 -0.12 @@ -7187,21 +7187,21 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1E-06 S/ESD 1 1 0.029 0.0E+00 0.189E-01 1.52 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.4 E-02 1.4 DU[ISO] Inversion method: Automatic -Block No 2. Single precision relative error: 1.72E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.72E-07 +[80a] Block No 2. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 2 Inversion method: Automatic -Block No 3. Single precision relative error: 1.68E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.68E-07 +[80a] Block No 3. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 3 Inversion method: Automatic -Block No 4. Single precision relative error: 1.47E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.47E-07 +[80a] Block No 4. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 Block 4 [14] S/ESD 11 1 -0.022 0.0E+00 0.36 E-02 -6.3 C 1 X [14] S/ESD 13 3 0.017 0.0E+00 0.40 E-02 4.2 C 1 Z @@ -7245,12 +7245,12 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [89] -0.05 -0.03 0.00 [71] R.M.S. 0. 0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.052 0.067 +[31] 0.123 0.052 0.067 [70] Maximum 0. 0.00 0.02 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.197 0.071 0.103 +[31] 0.197 0.071 0.103 [03] Reversals @@ -7297,17 +7297,17 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [37] S 1. 1.00 1.00 0.16 0.02 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.007 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.015 +[31] 0.019 0.018 0.015 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.03 [73] 0.00 -0.01 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.029 0.024 +[31] 0.031 0.029 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -7422,12 +7422,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.015 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.021 0.019 +[31] 0.030 0.021 0.020 [03] Reversals @@ -7474,17 +7474,17 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] S 1. 1.00 1.00 0.16 0.02 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.009 +[31] 0.012 0.012 0.010 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.018 0.015 +[31] 0.020 0.019 0.016 [84] Mean C-C su = 0.01 #CYCLENDS #PRINT 6 @@ -7731,8 +7731,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.23E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.23E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -7769,15 +7769,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.001 0.003 0.000 +[31] 0.001 0.003 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.000 +[31] 0.002 0.005 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.007 0.001 +[31] 0.003 0.007 0.001 [03] Reversals @@ -7822,22 +7822,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] B 2. 1.00 0.00 -0.18 -0.11 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 5 @@ -7967,8 +7967,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.09E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.09E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -8005,15 +8005,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.004 0.002 0.001 [03] Reversals @@ -8058,22 +8058,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.005 [37] B 2. 1.00 0.00 -0.18 -0.12 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.003 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK @@ -8839,124 +8839,14 @@ LS-scale= 1.000 Wilson Scale= 0.000 4 * -4 -8 -9 -7 -4 -1 5 * -9 -7 -1 4 5 3 -# TRIAL ALMOST CERTAINLY DOES NOT WORK -#TRIAL - - - - Structure factors end after 12 reflection(s) - - - - Scale factor 0.184E-01 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 0 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 1 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 2 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 3 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 4 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 5 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 6 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 7 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 8 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 9 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 - - 10 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 - - 11 * 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 - - 12 * 179 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 1 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 1 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 2 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 3 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 4 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 5 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 6 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 7 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 8 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 9 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 10 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 - - 11 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 - - 12 * 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 2 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 145 - - 1 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 2 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 3 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 4 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 5 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 6 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 7 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 8 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 9 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 107 159 - - 10 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 107 - - 11 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 - - 12 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 +# \ TRIAL ALMOST CERTAINLY DOES NOT WORK +# \TRIAL +# MAP /FO/-MIN= 45 +# DISPLACEMENT .1 -.2 .3 +# DOWN 13 0 .02 0 +# ACROSS 26 .02 0 0 +# THROUGH 3 0 0 -.1 +# END #END diff --git a/test_suite/LINUXGHGUI.org/tls.out b/test_suite/LINUXGHGUI.org/tls.out index 294510644..df6b23fac 100644 --- a/test_suite/LINUXGHGUI.org/tls.out +++ b/test_suite/LINUXGHGUI.org/tls.out @@ -469,8 +469,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -511,12 +511,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -561,57 +561,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -693,8 +693,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -738,12 +738,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -788,57 +788,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -920,8 +920,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -965,12 +965,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -1015,57 +1015,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1160,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -1203,12 +1203,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -1253,57 +1253,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1385,8 +1385,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1430,12 +1430,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -1480,57 +1480,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1612,8 +1612,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1657,12 +1657,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -1707,57 +1707,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1839,8 +1839,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1877,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1930,57 +1930,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2077,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -2132,15 +2132,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2185,57 +2185,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2317,8 +2317,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -2363,15 +2363,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2416,57 +2416,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2971,8 +2971,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -3011,15 +3011,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -3064,57 +3064,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3196,8 +3196,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3238,15 +3238,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -3291,57 +3291,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3423,8 +3423,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3468,12 +3468,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -3518,57 +3518,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -3663,8 +3663,8 @@ LS-scale= 1.591 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.25E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 32 32 0.029 0.0E+00 0.42 E-02 6.9 C 4 U[11] [14] S/ESD 33 33 -0.017 0.0E+00 0.38 E-02 -4.5 C 4 U[22] [14] S/ESD 37 37 0.011 0.0E+00 0.40 E-02 2.7 C 4 U[12] @@ -3709,12 +3709,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.00 0.00 0.01 -[31] 0.004 0.003 0.007 +[31] 0.004 0.003 0.007 [03] Reversals @@ -3759,57 +3759,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.006 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3892,8 +3892,8 @@ LS-scale= 1.583 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.29E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.29E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -3933,12 +3933,12 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [03] Reversals @@ -3983,57 +3983,57 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.005 0.006 +[31] 0.009 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4116,8 +4116,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4154,15 +4154,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4207,57 +4207,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4340,8 +4340,8 @@ LS-scale= 1.586 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4378,15 +4378,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4431,57 +4431,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #ANISO @@ -4505,9 +4505,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 14.35 -20.88 7.8 0.03 -0.00 0.00 -0.02 0.09 0.02 -[35] -20.88 55.18 -12.7 -0.00 0.03 -0.00 -0.29 0.08 -0.12 -[35] 7.83 -12.75 22.1 0.00 -0.00 0.03 -0.16 0.07 -0.06 +[35] 14.35 -20.89 7.84 0.03 -0.00 0.00 -0.03 0.10 0.03 +[35] -20.89 55.19 -12.75 -0.00 0.03 -0.00 -0.30 0.09 -0.12 +[35] 7.84 -12.75 22.13 0.00 -0.00 0.03 -0.16 0.07 -0.06 @@ -4532,9 +4532,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.03 0.00 0.00 -0.05 -0.02 0.13 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.18 -0.06 -0.21 -[35] 0.00 0.00 68.6 0.00 0.00 0.03 -0.16 0.09 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 -0.03 0.13 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.18 -0.07 -0.22 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 -0.16 0.10 0.12 @@ -4553,9 +4553,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.00 -0.06 0.00 -[35] 0.00 0.00 68.6 0.00 0.00 0.02 0.00 0.00 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 0.00 0.00 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.00 -0.07 0.00 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 0.00 0.00 0.12 @@ -4740,9 +4740,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.96 0.39 -3.9 0.02 0.00 -0.00 0.00 -0.00 -0.15 -[35] 0.39 11.22 5.8 0.00 0.03 0.00 0.07 0.10 -0.10 -[35] -3.92 5.88 19.0 -0.00 0.00 0.03 0.14 0.39 -0.10 +[35] 4.97 0.39 -3.92 0.02 0.00 -0.00 0.00 -0.01 -0.15 +[35] 0.39 11.22 5.88 0.00 0.03 0.00 0.08 0.11 -0.11 +[35] -3.92 5.88 19.07 -0.00 0.00 0.03 0.14 0.40 -0.11 @@ -4767,9 +4767,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 -0.00 0.00 -0.05 0.13 -0.08 -[35] 0.00 9.05 0.0 -0.00 0.03 -0.00 -0.00 0.00 -0.12 -[35] 0.00 0.00 22.8 0.00 -0.00 0.03 -0.01 0.44 0.04 +[35] 3.37 0.00 0.00 0.02 -0.00 0.00 -0.05 0.14 -0.09 +[35] 0.00 9.06 0.00 -0.00 0.03 -0.00 -0.01 0.01 -0.13 +[35] 0.00 0.00 22.83 0.00 -0.00 0.03 -0.01 0.44 0.04 @@ -4788,9 +4788,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 9.05 0.0 0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 22.8 0.00 0.00 0.02 0.00 0.00 0.04 +[35] 3.37 0.00 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 +[35] 0.00 9.06 0.00 0.00 0.02 0.00 0.00 0.01 0.00 +[35] 0.00 0.00 22.83 0.00 0.00 0.03 0.00 0.00 0.04 @@ -4972,9 +4972,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.47 0.60 -1.2 0.02 0.00 0.00 0.02 0.06 -0.08 -[35] 0.60 11.29 6.5 0.00 0.02 -0.00 -0.05 0.01 -0.03 -[35] -1.29 6.59 15.0 0.00 -0.00 0.03 0.02 0.18 -0.04 +[35] 4.48 0.61 -1.30 0.02 0.00 0.00 0.02 0.06 -0.08 +[35] 0.61 11.30 6.60 0.00 0.03 -0.00 -0.06 0.02 -0.03 +[35] -1.30 6.60 15.03 0.00 -0.00 0.03 0.02 0.18 -0.04 @@ -4999,9 +4999,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.13 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 -0.03 -0.03 -0.06 -[35] 0.00 0.00 20.0 0.00 -0.00 0.03 -0.08 0.13 0.05 +[35] 3.81 0.00 0.00 0.03 -0.00 0.00 -0.01 0.13 0.00 +[35] 0.00 6.95 0.00 -0.00 0.03 -0.00 -0.03 -0.04 -0.06 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 -0.08 0.13 0.05 @@ -5020,9 +5020,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.00 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 0.00 -0.03 0.00 -[35] 0.00 0.00 20.0 0.00 -0.00 0.02 0.00 0.00 0.05 +[35] 3.81 0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 +[35] 0.00 6.95 0.00 -0.00 0.02 -0.00 0.00 -0.04 0.00 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 0.00 0.00 0.05 @@ -5207,9 +5207,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.18 0.61 1.7 0.02 0.00 -0.00 0.04 0.03 -0.06 -[35] 0.61 12.54 0.0 0.00 0.02 -0.00 -0.20 -0.00 0.04 -[35] 1.75 0.03 15.1 -0.00 -0.00 0.03 -0.15 0.02 -0.03 +[35] 4.19 0.61 1.75 0.03 0.00 -0.00 0.04 0.04 -0.07 +[35] 0.61 12.54 0.04 0.00 0.03 -0.00 -0.20 -0.01 0.04 +[35] 1.75 0.04 15.15 -0.00 -0.00 0.03 -0.15 0.03 -0.03 @@ -5234,9 +5234,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 0.00 -0.00 0.08 0.04 -0.05 -[35] 0.00 12.57 0.0 0.00 0.02 -0.00 -0.19 -0.02 0.01 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 -0.14 0.02 -0.06 +[35] 3.87 0.00 0.00 0.03 0.00 -0.00 0.09 0.04 -0.05 +[35] 0.00 12.58 0.00 0.00 0.03 -0.00 -0.20 -0.02 0.01 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 -0.15 0.03 -0.06 @@ -5255,9 +5255,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 -0.00 -0.00 0.08 0.00 0.00 -[35] 0.00 12.57 0.0 -0.00 0.02 -0.00 0.00 -0.02 0.00 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 0.00 0.00 -0.06 +[35] 3.87 0.00 0.00 0.02 -0.00 -0.00 0.09 0.00 0.00 +[35] 0.00 12.58 0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 0.00 0.00 -0.06 diff --git a/test_suite/LINUXGHGUI.org/twin2.out b/test_suite/LINUXGHGUI.org/twin2.out index a441f28e7..f9926cebb 100644 --- a/test_suite/LINUXGHGUI.org/twin2.out +++ b/test_suite/LINUXGHGUI.org/twin2.out @@ -202,8 +202,8 @@ LS-scale= 10.008 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.55E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 5.55E-05 +[80a] Block No 1. Single precision relative error: 6E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 6E-05 S/ESD 1 1 -0.094 0.0E+00 0.485E-01 -1.95 SCALE Composite @@ -274,12 +274,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.006 0.009 +[31] 0.012 0.006 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.009 0.017 +[31] 0.018 0.009 0.017 [03] Reversals @@ -335,37 +335,37 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.000 0.005 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.005 0.005 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.004 0.004 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.005 +[31] 0.009 0.009 0.005 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.005 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.005 +[31] 0.008 0.008 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC NO NO @@ -1240,8 +1240,8 @@ LS-scale= 9.913 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.17E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.17E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 S/ESD 1 1 -0.069 0.7E+00 0.517E-01 -1.33 SCALE Composite @@ -1290,12 +1290,12 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.001 +[31] 0.005 0.004 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.002 +[31] 0.009 0.006 0.002 [03] Reversals @@ -1351,37 +1351,37 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1470,8 +1470,8 @@ LS-scale= 9.844 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.35E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.35E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 for 44 parameters [64] The rms (shift/su) = 0. @@ -1515,12 +1515,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -1576,37 +1576,37 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.003 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #FINI diff --git a/test_suite/MIN64GH.org/absorb.out b/test_suite/MIN64GH.org/absorb.out index 73a93639c..36dac68bf 100644 --- a/test_suite/MIN64GH.org/absorb.out +++ b/test_suite/MIN64GH.org/absorb.out @@ -16,7 +16,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -48,16 +48,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 53 @@ -115,16 +115,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 -0.58 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.68 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 1.04 2.35 -[35] 1.87 0.00 0.0 0.00 0.00 0.00 0.00 0.10 103.68 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 -0.59 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.68 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 1.05 2.35 +[35] 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.11 103.69 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 The updated reflections are now on UNIT 52 @@ -145,7 +145,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.079 -0.093 [89] -0.09 0.02 -0.10 @@ -177,16 +177,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 129.91 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.05 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 129.91 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 The updated reflections are now on UNIT 53 @@ -208,7 +208,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -233,16 +233,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 52 @@ -259,7 +259,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -286,16 +286,16 @@ -4. -2. -1. Excessive shape correction Inclinations 0.045 0.388 0.040 Correction 5.088 -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 4.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 3.8 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.4 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.6 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 2.4 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 53 @@ -309,7 +309,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -341,16 +341,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 52 diff --git a/test_suite/MIN64GH.org/amp.out b/test_suite/MIN64GH.org/amp.out index 89007043f..b1f53e293 100644 --- a/test_suite/MIN64GH.org/amp.out +++ b/test_suite/MIN64GH.org/amp.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -310,6 +309,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -469,8 +471,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +512,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +562,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +694,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +739,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +789,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +921,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +959,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1012,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1157,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1201,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1251,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1383,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1428,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1478,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1610,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1655,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1705,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1837,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1879,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1932,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2079,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2132,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2185,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2317,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2363,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2416,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2509,7 +2511,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2667,7 +2668,6 @@ LS-scale= 1.733 Wilson Scale= 0.000 with an R.M.S. deviation of 0.10 #PEAKS List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -2684,11 +2684,11 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GH.org/batch.out b/test_suite/MIN64GH.org/batch.out index e3f52901c..3d3c10931 100644 --- a/test_suite/MIN64GH.org/batch.out +++ b/test_suite/MIN64GH.org/batch.out @@ -46,7 +46,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -83,6 +82,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -242,8 +244,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -283,12 +285,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -344,57 +346,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -476,8 +478,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -518,15 +520,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.004 [03] Reversals @@ -582,57 +584,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -714,8 +716,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.19E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.19E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -756,15 +758,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -820,57 +822,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -953,8 +955,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.15E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.15E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -991,15 +993,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1055,57 +1057,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1199,8 +1201,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.19 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -1242,12 +1244,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -1303,57 +1305,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1435,8 +1437,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -1481,12 +1483,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -1542,57 +1544,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1674,8 +1676,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1716,15 +1718,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -1780,57 +1782,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1913,8 +1915,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1951,15 +1953,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2015,57 +2017,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2160,8 +2162,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.79 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -2213,12 +2215,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -2274,57 +2276,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2406,8 +2408,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.38 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -2450,15 +2452,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -2514,57 +2516,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2646,8 +2648,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2691,12 +2693,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -2752,57 +2754,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2885,8 +2887,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2926,12 +2928,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -2987,57 +2989,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3290,8 +3292,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -3330,15 +3332,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3471,8 +3473,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -3515,15 +3517,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3656,8 +3658,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3698,15 +3700,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3910,8 +3912,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3948,15 +3950,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4153,8 +4155,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -4193,15 +4195,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4334,8 +4336,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4376,15 +4378,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4517,8 +4519,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4555,15 +4557,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4772,8 +4774,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -4813,15 +4815,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4954,8 +4956,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -4998,15 +5000,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5139,8 +5141,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -5181,15 +5183,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5408,8 +5410,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5449,12 +5451,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -5510,57 +5512,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5642,8 +5644,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5684,15 +5686,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5748,57 +5750,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5880,8 +5882,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.55E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.55E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5922,15 +5924,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5986,57 +5988,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -6201,8 +6203,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -6239,15 +6241,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -6303,57 +6305,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -6448,8 +6450,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -6491,15 +6493,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -6555,57 +6557,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -6687,8 +6689,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -6732,12 +6734,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.024 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -6793,57 +6795,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6925,8 +6927,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -6967,15 +6969,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -7031,57 +7033,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -7246,8 +7248,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -7284,15 +7286,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7348,57 +7350,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7493,8 +7495,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.139E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.7 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.2 O 3 U[22] @@ -7547,12 +7549,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.009 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.02 -[31] 0.016 0.006 0.010 +[31] 0.016 0.007 0.010 [03] Reversals @@ -7608,57 +7610,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.17 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7740,8 +7742,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.62 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.5 C 4 U[11] @@ -7784,15 +7786,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [03] Reversals @@ -7848,57 +7850,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7980,8 +7982,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8025,12 +8027,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -8086,57 +8088,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -8301,8 +8303,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8339,15 +8341,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -8403,57 +8405,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -8690,8 +8692,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -8731,12 +8733,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -8792,57 +8794,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8924,8 +8926,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -8966,15 +8968,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.005 [03] Reversals @@ -9030,57 +9032,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9162,8 +9164,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9204,15 +9206,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9268,57 +9270,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -9401,8 +9403,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9439,15 +9441,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9503,57 +9505,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9647,8 +9649,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.18 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -9690,12 +9692,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -9751,57 +9753,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9883,8 +9885,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -9929,12 +9931,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -9990,57 +9992,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10122,8 +10124,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10164,15 +10166,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -10228,57 +10230,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10361,8 +10363,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.25E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.25E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10399,15 +10401,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10463,57 +10465,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -10608,8 +10610,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.80 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -10661,12 +10663,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -10722,57 +10724,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10854,8 +10856,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.37 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -10898,15 +10900,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -10962,57 +10964,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11094,8 +11096,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11139,12 +11141,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -11200,57 +11202,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11333,8 +11335,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11374,12 +11376,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -11435,57 +11437,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -11738,8 +11740,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -11778,15 +11780,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11919,8 +11921,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -11963,15 +11965,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12104,8 +12106,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12146,15 +12148,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12358,8 +12360,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12396,15 +12398,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12601,8 +12603,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -12641,15 +12643,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12782,8 +12784,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12824,15 +12826,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12965,8 +12967,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -13003,15 +13005,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13220,8 +13222,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -13261,15 +13263,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13402,8 +13404,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -13446,15 +13448,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13587,8 +13589,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -13629,15 +13631,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13856,8 +13858,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.51E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -13897,12 +13899,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -13958,57 +13960,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14090,8 +14092,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.53E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.53E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14132,15 +14134,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14196,57 +14198,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14328,8 +14330,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14370,15 +14372,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14434,57 +14436,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14649,8 +14651,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14687,15 +14689,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14751,57 +14753,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -14896,8 +14898,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -14939,15 +14941,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -15003,57 +15005,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -15135,8 +15137,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -15180,12 +15182,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.025 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -15241,57 +15243,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15373,8 +15375,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15415,15 +15417,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -15479,57 +15481,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -15694,8 +15696,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15732,15 +15734,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -15796,57 +15798,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15941,8 +15943,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.140E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.8 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.1 O 3 U[22] @@ -15997,12 +15999,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.003 0.004 +[31] 0.009 0.004 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.017 0.005 0.007 +[31] 0.017 0.006 0.007 [03] Reversals @@ -16058,57 +16060,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16190,8 +16192,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.63 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.6 C 4 U[11] @@ -16234,15 +16236,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.001 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.007 0.005 [03] Reversals @@ -16298,57 +16300,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16430,8 +16432,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16475,12 +16477,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -16536,57 +16538,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -16751,8 +16753,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16789,15 +16791,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -16853,57 +16855,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -17140,8 +17142,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -17179,15 +17181,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -17243,57 +17245,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17375,8 +17377,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17417,15 +17419,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -17481,57 +17483,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17613,8 +17615,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17658,12 +17660,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -17719,57 +17721,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -17852,8 +17854,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17890,15 +17892,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -17954,57 +17956,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -18098,8 +18100,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -18142,12 +18144,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -18203,57 +18205,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18335,8 +18337,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -18381,12 +18383,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -18442,57 +18444,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18574,8 +18576,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18619,12 +18621,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -18680,57 +18682,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -18813,8 +18815,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18854,12 +18856,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -18915,57 +18917,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -19060,8 +19062,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.41 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -19120,12 +19122,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -19181,57 +19183,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -19313,8 +19315,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.435E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -19360,12 +19362,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -19421,57 +19423,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19553,8 +19555,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19598,12 +19600,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -19659,57 +19661,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19792,8 +19794,8 @@ LS-scale= 1.658 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19833,12 +19835,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -19894,57 +19896,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -20192,8 +20194,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -20232,15 +20234,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20368,8 +20370,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -20412,15 +20414,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20548,8 +20550,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -20592,15 +20594,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20799,8 +20801,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -20839,15 +20841,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21036,8 +21038,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -21076,15 +21078,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21217,8 +21219,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21259,15 +21261,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21400,8 +21402,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21442,15 +21444,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21659,8 +21661,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 2 @@ -21700,15 +21702,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21841,8 +21843,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.95E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.88 SCALE for 2 parameters @@ -21884,15 +21886,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22025,8 +22027,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -22067,15 +22069,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22294,8 +22296,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22335,12 +22337,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -22396,57 +22398,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22528,8 +22530,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22566,15 +22568,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22630,57 +22632,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -22845,8 +22847,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22883,15 +22885,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22947,57 +22949,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -23092,8 +23094,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.9 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -23138,12 +23140,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -23199,57 +23201,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -23331,8 +23333,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -23377,12 +23379,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -23438,57 +23440,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23570,8 +23572,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23615,12 +23617,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -23676,57 +23678,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -23891,8 +23893,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23929,15 +23931,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -23993,57 +23995,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -24138,8 +24140,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -24198,12 +24200,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -24259,57 +24261,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24391,8 +24393,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -24438,12 +24440,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -24499,57 +24501,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24631,8 +24633,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24676,12 +24678,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -24737,57 +24739,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -24952,8 +24954,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24993,12 +24995,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -25054,57 +25056,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -25342,8 +25344,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -25381,15 +25383,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -25445,57 +25447,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25577,8 +25579,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25619,15 +25621,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -25683,57 +25685,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25815,8 +25817,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25860,12 +25862,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -25921,57 +25923,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -26054,8 +26056,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -26092,15 +26094,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -26156,57 +26158,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -26300,8 +26302,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -26344,12 +26346,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -26405,57 +26407,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26537,8 +26539,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -26583,12 +26585,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -26644,57 +26646,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26776,8 +26778,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -26821,12 +26823,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -26882,57 +26884,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -27015,8 +27017,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -27056,12 +27058,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -27117,57 +27119,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -27262,8 +27264,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.42 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -27322,12 +27324,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -27383,57 +27385,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -27515,8 +27517,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.436E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -27562,12 +27564,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -27623,57 +27625,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27755,8 +27757,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -27800,12 +27802,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -27861,57 +27863,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -27994,8 +27996,8 @@ LS-scale= 1.659 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -28035,12 +28037,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -28096,57 +28098,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -28394,8 +28396,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -28434,15 +28436,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28570,8 +28572,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -28614,15 +28616,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28750,8 +28752,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -28794,15 +28796,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29001,8 +29003,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -29041,15 +29043,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29238,8 +29240,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -29278,15 +29280,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29419,8 +29421,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29461,15 +29463,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29602,8 +29604,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29644,15 +29646,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29861,8 +29863,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 2 @@ -29902,15 +29904,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30043,8 +30045,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.96E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.87 SCALE for 2 parameters @@ -30086,15 +30088,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30227,8 +30229,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -30269,15 +30271,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30496,8 +30498,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30537,12 +30539,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -30598,57 +30600,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -30730,8 +30732,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30768,15 +30770,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30832,57 +30834,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -31047,8 +31049,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -31085,15 +31087,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -31149,57 +31151,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -31294,8 +31296,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.8 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -31340,12 +31342,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -31401,57 +31403,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -31533,8 +31535,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -31579,12 +31581,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -31640,57 +31642,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31774,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -31817,12 +31819,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -31878,57 +31880,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -32093,8 +32095,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -32131,15 +32133,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32195,57 +32197,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -32340,8 +32342,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -32400,12 +32402,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -32461,57 +32463,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32593,8 +32595,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -32640,12 +32642,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -32701,57 +32703,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32833,8 +32835,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -32878,12 +32880,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -32939,57 +32941,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -33154,8 +33156,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -33195,12 +33197,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -33256,57 +33258,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GH.org/bigsfls.out b/test_suite/MIN64GH.org/bigsfls.out index a6f66d99c..fefa1c62d 100644 --- a/test_suite/MIN64GH.org/bigsfls.out +++ b/test_suite/MIN64GH.org/bigsfls.out @@ -42,7 +42,6 @@ Space group symbol is P -1 # PUNCHED ON 28/01/11 AT 14:14:55 # #LIST 5 -Bonds: Update required - There is no list 41 #DISK # # PUNCHED ON 16-JAN87 AT 15:59:13 @@ -70,7 +69,7 @@ Refining 206 parameters in 1 block : 21749 elements in the LS matrix. LARGE TEST JOB FOR CYBER Date Time - Print list type 22 serial number 1 Address 439995 Length 7131 Created on + Print list type 22 serial number 1 Address 437174 Length 7131 Created on 206 parameter(s) in 1 block(s) - as follows: @@ -1397,6 +1396,9 @@ Refining 206 parameters in 1 block : 21749 elements in the LS matrix. # ADD CHECK TO LOCATE FAILING RESTRAINT (RESTRAINT NO 28) #CHECK #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #CHECK @@ -2084,8 +2086,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.17E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2.17E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2E-05 Composite Composite @@ -2465,12 +2467,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.004 0.009 +[31] 0.026 0.004 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.04 0.01 0.01 0.01 -[31] 0.113 0.007 0.042 +[31] 0.114 0.008 0.043 [03] Reversals @@ -2515,742 +2517,742 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.007 0.011 0.009 +[31] 0.008 0.011 0.010 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.008 0.010 0.006 +[31] 0.008 0.010 0.007 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.008 0.010 0.007 +[31] 0.008 0.011 0.007 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.007 0.010 0.009 +[31] 0.007 0.011 0.010 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.23 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.04 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.010 0.005 0.011 +[31] 0.010 0.006 0.011 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.007 0.005 0.008 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.005 +[31] 0.006 0.007 0.006 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.008 0.007 0.008 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.006 0.008 0.008 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.008 +[31] 0.006 0.007 0.008 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.007 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.007 0.007 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.006 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.008 0.009 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.008 +[31] 0.007 0.006 0.008 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.007 0.008 0.008 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.009 0.007 0.008 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.009 +[31] 0.007 0.010 0.010 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.010 +[31] 0.009 0.007 0.010 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.008 0.010 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.009 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.006 0.007 0.009 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.006 +[31] 0.009 0.008 0.006 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.008 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.008 0.007 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.008 +[31] 0.008 0.006 0.008 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.007 +[31] 0.006 0.009 0.007 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.009 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.010 +[31] 0.008 0.007 0.010 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.007 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.007 0.009 0.007 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.010 +[31] 0.009 0.008 0.010 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.008 +[31] 0.011 0.010 0.009 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.011 +[31] 0.011 0.008 0.011 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.010 +[31] 0.008 0.008 0.010 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.009 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.008 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.009 +[31] 0.010 0.007 0.010 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.009 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.03 -[31] 0.122 0.123 0.128 +[31] 0.122 0.124 0.129 [37] H 116. 1.00 1.00 0.51 0.41 0.11 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.010 +[31] 0.010 0.007 0.010 [37] H 115. 1.00 1.00 0.57 0.53 0.00 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.011 0.006 [37] H 114. 1.00 1.00 0.58 0.68 0.01 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.008 [37] H 113. 1.00 1.00 0.52 0.69 0.14 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] H 112. 1.00 1.00 0.45 0.57 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.010 0.007 [37] H 126. 1.00 1.00 0.61 0.30 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] H 125. 1.00 1.00 0.72 0.17 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.011 +[31] 0.007 0.012 0.012 [37] H 124. 1.00 1.00 0.68 0.08 0.19 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.009 0.012 [37] H 123. 1.00 1.00 0.52 0.12 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.010 0.011 [37] H 122. 1.00 1.00 0.42 0.25 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.010 +[31] 0.008 0.011 0.011 [37] H 136. 1.00 1.00 0.33 0.32 0.45 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.009 0.010 +[31] 0.007 0.009 0.010 [37] H 135. 1.00 1.00 0.37 0.31 0.56 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.006 [37] H 134. 1.00 1.00 0.52 0.38 0.54 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] H 133. 1.00 1.00 0.62 0.45 0.41 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.011 +[31] 0.008 0.010 0.011 [37] H 132. 1.00 1.00 0.58 0.46 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.006 +[31] 0.009 0.009 0.007 [37] H 216. 1.00 1.00 0.24 0.72 0.20 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.010 0.010 0.008 [37] H 215. 1.00 1.00 0.31 0.81 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.011 +[31] 0.011 0.006 0.011 [37] H 214. 1.00 1.00 0.35 0.74 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.010 0.010 0.012 [37] H 213. 1.00 1.00 0.32 0.59 0.44 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.007 +[31] 0.010 0.011 0.008 [37] H 212. 1.00 1.00 0.25 0.50 0.39 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.009 +[31] 0.010 0.006 0.009 [37] H 226. 1.00 1.00 0.05 0.68 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.008 +[31] 0.012 0.010 0.009 [37] H 225. 1.00 1.00 -0.11 0.73 0.31 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.014 +[31] 0.013 0.009 0.014 [37] H 224. 1.00 1.00 -0.19 0.62 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.014 0.013 +[31] 0.007 0.014 0.013 [37] H 223. 1.00 1.00 -0.12 0.48 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.012 0.012 0.009 [37] H 222. 1.00 1.00 0.04 0.43 0.41 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.007 0.011 +[31] 0.012 0.007 0.012 [37] H 236. 1.00 1.00 0.06 0.55 0.17 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.011 +[31] 0.007 0.011 0.011 [37] H 235. 1.00 1.00 0.08 0.60 0.03 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.013 +[31] 0.011 0.012 0.013 [37] H 234. 1.00 1.00 0.23 0.66 -0.06 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.007 +[31] 0.014 0.011 0.007 [37] H 233. 1.00 1.00 0.36 0.67 -0.01 0.07 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] H 232. 1.00 1.00 0.34 0.61 0.12 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.012 +[31] 0.008 0.011 0.012 [37] H 316. 1.00 1.00 0.17 0.17 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.011 +[31] 0.007 0.011 0.012 [37] H 315. 1.00 1.00 0.27 0.11 0.64 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.006 +[31] 0.013 0.011 0.007 [37] H 314. 1.00 1.00 0.44 0.07 0.59 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.012 0.011 0.012 [37] H 313. 1.00 1.00 0.52 0.09 0.45 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.013 +[31] 0.006 0.011 0.013 [37] H 312. 1.00 1.00 0.42 0.14 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.011 0.011 0.007 [37] H 326. 1.00 1.00 0.07 0.09 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.009 0.011 [37] H 325. 1.00 1.00 -0.08 0.07 0.51 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.011 0.009 0.013 [37] H 324. 1.00 1.00 -0.16 0.16 0.59 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.012 0.010 +[31] 0.007 0.013 0.010 [37] H 323. 1.00 1.00 -0.07 0.28 0.58 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] H 322. 1.00 1.00 0.08 0.31 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.008 0.012 [37] H 336. 1.00 1.00 0.19 0.22 0.23 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.010 0.008 0.012 [37] H 335. 1.00 1.00 0.23 0.11 0.15 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.008 +[31] 0.012 0.014 0.009 [37] H 334. 1.00 1.00 0.31 -0.02 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.012 0.012 0.013 [37] H 333. 1.00 1.00 0.35 -0.07 0.32 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.014 +[31] 0.011 0.008 0.014 [37] H 332. 1.00 1.00 0.31 0.03 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.011 0.012 0.009 [37] H 413. 1.00 1.00 -0.29 0.59 0.15 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.011 +[31] 0.009 0.010 0.011 [37] H 415. 1.00 1.00 -0.29 0.54 0.12 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.010 0.012 0.010 [37] H 416. 1.00 1.00 -0.17 0.38 0.15 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.012 0.010 0.011 [37] H 412. 1.00 1.00 -0.20 0.61 0.27 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.009 0.011 +[31] 0.012 0.010 0.012 [37] H 414. 1.00 1.00 -0.09 0.47 0.29 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [37] H 426. 1.00 1.00 -0.09 0.20 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.013 +[31] 0.009 0.012 0.013 [37] H 425. 1.00 1.00 0.00 0.17 0.05 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.016 +[31] 0.016 0.011 0.016 [37] H 424. 1.00 1.00 0.14 0.23 -0.03 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.010 +[31] 0.015 0.014 0.010 [37] H 423. 1.00 1.00 0.21 0.33 0.00 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.012 +[31] 0.009 0.013 0.012 [37] H 422. 1.00 1.00 0.13 0.37 0.11 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.014 +[31] 0.013 0.010 0.015 [37] H 436. 1.00 1.00 -0.02 0.12 0.30 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.011 +[31] 0.008 0.013 0.012 [37] H 435. 1.00 1.00 -0.13 0.01 0.39 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.007 0.014 +[31] 0.015 0.007 0.014 [37] H 434. 1.00 1.00 -0.29 0.05 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] H 433. 1.00 1.00 -0.34 0.20 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.015 0.011 +[31] 0.008 0.015 0.011 [37] H 432. 1.00 1.00 -0.24 0.32 0.36 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.013 +[31] 0.013 0.008 0.013 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.066 0.224 0.384 0.225 0.178 1.306 Might be split @@ -3356,8 +3358,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.30E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.30E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -3394,15 +3396,15 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -3447,442 +3449,442 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.000 0.001 0.001 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.000 0.002 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 222. 1.00 1.00 0.00 0.50 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 322. 1.00 1.00 0.04 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 325. 1.00 1.00 -0.04 0.11 0.50 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -3992,8 +3994,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.76E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.76E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 [14] S/ESD 217 217 -0.012 0.0E+00 0.79 E-03 -15.0 C 414 X [14] S/ESD 219 219 -0.010 0.0E+00 0.63 E-03 -16.9 C 414 Z @@ -4035,12 +4037,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.030 +[31] 0.029 0.024 0.030 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.174 0.155 0.200 +[31] 0.175 0.155 0.201 [03] Reversals @@ -4085,437 +4087,437 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.006 0.007 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.019 +[31] 0.017 0.016 0.019 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.017 +[31] 0.016 0.019 0.017 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.014 +[31] 0.016 0.016 0.015 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.017 +[31] 0.016 0.018 0.017 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.017 +[31] 0.015 0.017 0.017 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.016 0.027 +[31] 0.021 0.016 0.028 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.011 0.012 0.012 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.011 +[31] 0.009 0.011 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.012 0.013 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.013 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.015 0.014 0.013 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.012 +[31] 0.015 0.014 0.013 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.014 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.011 0.013 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.010 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.011 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.014 0.014 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.014 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.013 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.016 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.014 0.014 0.014 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.011 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.014 0.012 0.015 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.017 +[31] 0.015 0.013 0.017 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.012 0.016 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.013 0.011 0.014 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.010 0.013 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.015 0.012 0.016 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.016 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.014 0.014 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.014 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.017 +[31] 0.013 0.017 0.017 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.013 0.016 0.016 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.013 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 413. 1.00 1.00 -0.24 0.57 0.19 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.015 0.013 [37] C 414. 1.00 1.00 -0.15 0.49 0.24 0.05 [73] 0.00 -0.01 0.00 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.014 0.012 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.014 0.013 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.013 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.013 0.015 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.019 +[31] 0.018 0.016 0.019 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.015 +[31] 0.014 0.013 0.015 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.016 0.015 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.015 +[31] 0.016 0.017 0.015 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.017 0.015 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.015 0.015 0.014 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -4635,15 +4637,15 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.007 +[31] 0.004 0.004 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.017 0.058 +[31] 0.036 0.017 0.059 [03] Reversals @@ -4688,437 +4690,437 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.018 +[31] 0.016 0.015 0.018 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.016 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.015 0.014 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.017 0.016 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.016 +[31] 0.014 0.016 0.016 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.026 +[31] 0.020 0.015 0.026 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.011 0.011 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.010 0.008 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.011 0.012 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.014 0.013 0.012 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.010 +[31] 0.009 0.009 0.010 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.009 0.011 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.012 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.013 +[31] 0.011 0.014 0.013 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.012 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.014 0.015 0.015 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 225. 1.00 1.00 -0.08 0.67 0.33 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.014 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.016 +[31] 0.015 0.012 0.016 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.015 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.012 0.010 0.012 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.014 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.011 0.015 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.013 0.013 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.016 +[31] 0.013 0.016 0.016 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.015 +[31] 0.012 0.015 0.015 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.013 0.012 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [37] C 413. 1.00 1.00 -0.25 0.57 0.19 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.012 [37] C 414. 1.00 1.00 -0.15 0.50 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.011 0.013 0.011 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.012 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.013 0.012 0.014 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.015 0.018 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.013 0.012 0.014 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.012 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.013 +[31] 0.015 0.015 0.014 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.014 +[31] 0.015 0.016 0.014 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.016 0.014 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -5225,11 +5227,11 @@ LS-scale= 0.909 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 0. #CYCLENDS #FINISH - Physical reads 13250 Physical writes 10075 Cache hits 223487 - Cache hit distribution 203822 13108 2277 748 325 600 - Cache hit distribution 184 122 211 202 234 211 - Cache hit distribution 190 163 152 169 211 105 - Cache hit distribution 161 50 41 61 66 74 + Physical reads 12295 Physical writes 10033 Cache hits 212131 + Cache hit distribution 193707 12521 2297 751 317 420 + Cache hit distribution 163 112 181 236 279 171 + Cache hit distribution 150 202 138 93 45 52 + Cache hit distribution 89 52 32 48 45 30 : Job ends ok with 0 warnings and 0 errors diff --git a/test_suite/MIN64GH.org/difabs.out b/test_suite/MIN64GH.org/difabs.out index 44ad1f5d2..db60451a9 100644 --- a/test_suite/MIN64GH.org/difabs.out +++ b/test_suite/MIN64GH.org/difabs.out @@ -14,7 +14,7 @@ [89] 0.02 -0.08 0.05 -[31] 0.139 -0.000 -0.003 +[31] 0.139 -0.001 -0.003 #LIST 2 #LIST 6 #LIST 28 diff --git a/test_suite/MIN64GH.org/dist.out b/test_suite/MIN64GH.org/dist.out index 4e852751d..23793480b 100644 --- a/test_suite/MIN64GH.org/dist.out +++ b/test_suite/MIN64GH.org/dist.out @@ -10,11 +10,12 @@ # PUNCHED ON 11/07/12 AT 13:24:49 # #LIST 5 -Bonds: Update required - There is no list 41 #DIST #CLEAR 12 #LIST 12 #LIST 31 +#BONDCALC +Bonds: Update required - There is no list 41 #DIST diff --git a/test_suite/MIN64GH.org/eigenfilter.out b/test_suite/MIN64GH.org/eigenfilter.out index f1f8c65c0..19e80b620 100644 --- a/test_suite/MIN64GH.org/eigenfilter.out +++ b/test_suite/MIN64GH.org/eigenfilter.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -310,6 +309,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -508,12 +510,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -558,57 +560,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -733,12 +735,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -783,57 +785,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -951,15 +953,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1004,57 +1006,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1191,12 +1193,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1241,57 +1243,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1416,12 +1418,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1466,57 +1468,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1641,12 +1643,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1691,57 +1693,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1863,15 +1865,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1916,57 +1918,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2114,15 +2116,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2167,57 +2169,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2343,15 +2345,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2396,57 +2398,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2491,7 +2493,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2649,7 +2650,6 @@ LS-scale= 1.733 Wilson Scale= 0.000 with an R.M.S. deviation of 0.10 #PEAKS List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -2666,11 +2666,11 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2978,15 +2978,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3031,57 +3031,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3124,7 +3124,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -3531,12 +3530,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -3581,57 +3580,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3756,12 +3755,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -3806,57 +3805,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3981,12 +3980,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4031,57 +4030,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4218,12 +4217,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4268,57 +4267,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4443,12 +4442,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4493,57 +4492,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4668,12 +4667,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -4718,57 +4717,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4890,15 +4889,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -4943,57 +4942,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5141,15 +5140,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.76 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5194,57 +5193,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5370,15 +5369,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5423,60 +5422,61 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -5518,7 +5518,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -5676,7 +5675,6 @@ LS-scale= 1.733 Wilson Scale= 0.000 with an R.M.S. deviation of 0.10 #PEAKS List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -5693,9 +5691,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -6003,15 +6001,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.008 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.014 0.023 0.018 [03] Reversals @@ -6056,57 +6054,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -6149,7 +6147,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -6557,12 +6554,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -6607,57 +6604,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -6782,12 +6779,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -6832,57 +6829,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7007,12 +7004,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -7057,57 +7054,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -7243,12 +7240,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -7293,57 +7290,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7468,12 +7465,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -7518,57 +7515,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7693,12 +7690,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -7743,57 +7740,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7911,15 +7908,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7964,57 +7961,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8164,15 +8161,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8217,57 +8214,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8393,15 +8390,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8446,60 +8443,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -8541,7 +8539,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -8710,7 +8707,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -8727,9 +8723,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -9037,15 +9033,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -9090,57 +9086,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -9183,7 +9179,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -9591,12 +9586,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -9641,57 +9636,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -9816,12 +9811,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -9866,57 +9861,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10041,12 +10036,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -10091,57 +10086,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -10277,12 +10272,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -10327,57 +10322,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10502,12 +10497,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -10552,57 +10547,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10727,12 +10722,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -10777,57 +10772,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10945,15 +10940,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10998,57 +10993,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11198,15 +11193,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11251,57 +11246,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11427,15 +11422,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11480,60 +11475,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -11575,7 +11571,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -11744,7 +11739,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -11761,9 +11755,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -12071,15 +12065,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -12124,57 +12118,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GH.org/esd.out b/test_suite/MIN64GH.org/esd.out index 626e7261c..20057a689 100644 --- a/test_suite/MIN64GH.org/esd.out +++ b/test_suite/MIN64GH.org/esd.out @@ -24,9 +24,11 @@ # PUNCHED ON 14-MAY81 AT 10:38:11 # #LIST 5 -Bonds: Update required - There is no list 41 #SET MIRROR ON #EDIT +#BONDCALC +Bonds: Update required - There is no list 41 +#EDIT # PERTURB THE STRUCTURE The following atom(s) will be arithmetically modified Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -843,8 +845,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -913,12 +915,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.003 0.005 [03] Reversals @@ -963,37 +965,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST @@ -1963,8 +1965,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.12E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -2025,12 +2027,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.002 0.005 [03] Reversals @@ -2075,37 +2077,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST diff --git a/test_suite/MIN64GH.org/flack.out b/test_suite/MIN64GH.org/flack.out index 68cf3ce42..5ca9d60f9 100644 --- a/test_suite/MIN64GH.org/flack.out +++ b/test_suite/MIN64GH.org/flack.out @@ -38,7 +38,6 @@ # PUNCHED ON 5-OCT84 AT 16:49:57 # #LIST 5 -Bonds: Update required - There is no list 41 #LIST 3 #LIST 23 #LIST 12 @@ -48,6 +47,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -142,8 +144,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -180,15 +182,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -289,8 +291,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -327,15 +329,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -474,8 +476,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -513,15 +515,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -613,8 +615,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -651,15 +653,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -783,8 +785,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -821,15 +823,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -930,8 +932,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -968,15 +970,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1115,8 +1117,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -1154,15 +1156,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1254,8 +1256,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1292,15 +1294,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1425,8 +1427,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.4 E-02 -0.2 POLARITY for 1 parameters @@ -1464,15 +1466,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1573,8 +1575,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1611,15 +1613,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1758,8 +1760,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -2.0 0.0E+00 0.3 E+00 -6.0 POLARITY for 1 parameters @@ -1797,15 +1799,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1897,8 +1899,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 -0.9E-03 0.4 E-02 0.4 POLARITY for 1 parameters @@ -1936,15 +1938,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2069,8 +2071,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.1 E-02 -0.5 ENANTIO for 1 parameters @@ -2108,15 +2110,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2218,8 +2220,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -2256,15 +2258,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2403,8 +2405,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.9 0.0E+00 0.1 E+00 -6.7 ENANTIO for 1 parameters @@ -2442,15 +2444,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2542,8 +2544,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.6E-02 0.2 E-02 -3.1 ENANTIO for 1 parameters @@ -2581,15 +2583,15 @@ All cycle Min function 0.0 0.50E-03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2736,8 +2738,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 1 1 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 1 parameters @@ -2775,15 +2777,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -2828,7 +2830,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2879,8 +2881,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -2921,15 +2923,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -2974,7 +2976,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3026,8 +3028,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -3064,15 +3066,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3117,7 +3119,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3168,8 +3170,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 4. @@ -3210,15 +3212,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -3263,7 +3265,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FINALLY, INVERT POLARITY AND ENANTIOMER, @@ -3371,8 +3373,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.25E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 2 2 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 2 parameters @@ -3410,15 +3412,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -3463,7 +3465,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3515,8 +3517,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.28E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.28E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3557,15 +3559,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -3610,7 +3612,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3662,8 +3664,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3700,15 +3702,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3753,7 +3755,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3804,8 +3806,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 3. @@ -3846,15 +3848,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3899,7 +3901,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOW IMPORT AGS4, THE SHELX2013 TEST DATA @@ -3931,7 +3933,6 @@ Space group symbol is P -4 #LIST 4 #LIST 3 #LIST 5 -Bonds: Update required - List5 length change # # PUNCHED ON 03/04/14 AT 08:39:39 # @@ -4323,8 +4324,8 @@ LS-scale= 2.699 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.86E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.86E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 0.052 0.0E+00 0.335E-01 1.56 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.2 E-01 0.1 ENANTIO @@ -4366,12 +4367,12 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.001 0.002 0.006 [03] Reversals @@ -4416,42 +4417,42 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.045 0.093 0.310 0.149 0.109 0.632 Might be split @@ -4536,8 +4537,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.83E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.83E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 [13] LARGE 2 2 0.0 0.3E+00 0.2 E-01 0.0 ENANTIO for 56 parameters @@ -4582,12 +4583,12 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -4632,42 +4633,42 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.625 Might be split @@ -4752,8 +4753,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.82E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.82E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 for 56 parameters [64] The rms (shift/su) = 0. @@ -4793,12 +4794,12 @@ All cycle Rw 0.0 7.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [03] Reversals @@ -4843,42 +4844,42 @@ All cycle Rw 0.0 7.1 0.10E+03 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.624 Might be split @@ -5043,7 +5044,7 @@ LS-scale= 2.709 Wilson Scale= 0.000 After 1 pass 904 reflection(s) have been sorted The updated reflections are now on UNIT 53 #PURGE LIST=7 - List type 5 serial number 65 from 51464 to 51690 will not be copied ( deleted ) + List type 5 serial number 65 from 51194 to 51420 will not be copied ( deleted ) ************************************************************************ diff --git a/test_suite/MIN64GH.org/fourier.out b/test_suite/MIN64GH.org/fourier.out index e9a58018f..57a69dc05 100644 --- a/test_suite/MIN64GH.org/fourier.out +++ b/test_suite/MIN64GH.org/fourier.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -304,6 +303,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -27949,8 +27951,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -27990,12 +27992,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -28040,57 +28042,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28172,8 +28174,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28217,12 +28219,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -28267,57 +28269,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28399,8 +28401,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28437,15 +28439,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -28490,57 +28492,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -28635,8 +28637,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -28679,12 +28681,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -28729,57 +28731,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28861,8 +28863,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -28906,12 +28908,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -28956,57 +28958,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29088,8 +29090,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29133,12 +29135,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -29183,57 +29185,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29315,8 +29317,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29357,15 +29359,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -29410,57 +29412,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -29557,8 +29559,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -29610,15 +29612,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29663,57 +29665,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29795,8 +29797,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -29841,15 +29843,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29894,57 +29896,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 diff --git a/test_suite/MIN64GH.org/geom.out b/test_suite/MIN64GH.org/geom.out index e0001456f..ccb551512 100644 --- a/test_suite/MIN64GH.org/geom.out +++ b/test_suite/MIN64GH.org/geom.out @@ -189,9 +189,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 5.64 -0.82 -2.7 0.02 -0.00 0.00 -0.05 -0.06 0.11 -[35] -0.82 16.99 4.6 -0.00 0.03 -0.00 0.13 -0.06 0.04 -[35] -2.72 4.60 2.2 0.00 -0.00 0.03 -0.08 -0.38 0.11 +[35] 5.64 -0.82 -2.72 0.02 -0.00 0.00 -0.05 -0.06 0.11 +[35] -0.82 17.00 4.61 -0.00 0.03 -0.00 0.14 -0.06 0.05 +[35] -2.72 4.61 2.28 0.00 -0.00 0.03 -0.09 -0.39 0.11 @@ -216,9 +216,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.00 -0.00 0.14 -0.24 -0.28 -[35] 0.00 6.47 0.0 -0.00 0.02 0.00 0.05 0.00 0.08 -[35] 0.00 0.00 18.5 -0.00 0.00 0.02 0.13 0.04 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.00 -0.00 0.15 -0.24 -0.28 +[35] 0.00 6.47 0.00 -0.00 0.02 0.00 0.06 0.00 0.08 +[35] 0.00 0.00 18.51 -0.00 0.00 0.03 0.14 0.04 -0.15 @@ -237,9 +237,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.53 -0.62 0.14 0.00 0.00 -[35] 0.00 6.47 0.0 -0.53 0.88 1.01 0.00 0.00 0.00 -[35] 0.00 0.00 18.5 -0.62 1.01 1.21 0.00 0.00 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.54 -0.62 0.15 0.00 0.00 +[35] 0.00 6.47 0.00 -0.54 0.89 1.01 0.00 0.00 0.00 +[35] 0.00 0.00 18.51 -0.62 1.01 1.21 0.00 0.00 -0.15 diff --git a/test_suite/MIN64GH.org/hydro.out b/test_suite/MIN64GH.org/hydro.out index f53372acd..a9eb13d37 100644 --- a/test_suite/MIN64GH.org/hydro.out +++ b/test_suite/MIN64GH.org/hydro.out @@ -9,7 +9,6 @@ #SET MIRROR OFF # DJW JUN09 #LIST 13 -Bonds: Update required - There is no list 41 #COMPOSITION #LIST 3 #LIST 29 @@ -113,7 +112,6 @@ Space group symbol is P -1 [82] H 21.0 1.00000 1. 0.60 0.67 0.06 0.06 List now contains 39 atoms -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 39 atoms @@ -163,15 +161,18 @@ Bonds: Update required - List5 length change The list currently contains 6 overall parameters SCALE 8.987 DU[ISO] 0.050 OU[ISO] 0.050 POLARITY 1.000 ENANTIO 0.000 EXTPARAM 0.000 +#EDIT +#BONDCALC +Bonds: Update required - There is no list 41 #EDIT The following atom(s) will be selected O 2 N 1 C 1 S 1 O 1 C 2 C 3 C 4 C 5 C 6 C 7 C 8 C 9 C 10 C 11 C 12 C 13 C 14 List 5 now contains 18 atom(s) -Bonds: Update required - List5 length change # NOTE THAT THE PHENYL GROUP IS REALLY BONDED TO C1 #PERHYDRO +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H23 C(1) N(1) C(6,1,1,0,1) H12 C(2) C(7) C(3) @@ -266,7 +267,6 @@ H33 C(14) C(11) C(10) [82] H 142.0 1.00000 1. -0.28 1.01 0.46 0.10 [82] H 143.0 1.00000 1. -0.31 0.85 0.59 0.10 List now contains 32 atoms -Bonds: Update required - List5 length change #FINI diff --git a/test_suite/MIN64GH.org/layers.out b/test_suite/MIN64GH.org/layers.out index 0e1a437fc..ffad4ee9b 100644 --- a/test_suite/MIN64GH.org/layers.out +++ b/test_suite/MIN64GH.org/layers.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -247,6 +246,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -411,8 +413,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -459,12 +461,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -520,57 +522,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -652,8 +654,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -708,12 +710,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -769,57 +771,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -901,8 +903,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -954,12 +956,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -1015,57 +1017,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1162,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -1212,12 +1214,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -1273,57 +1275,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1405,8 +1407,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -1458,12 +1460,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -1519,57 +1521,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1651,8 +1653,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -1701,15 +1703,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -1765,57 +1767,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1897,8 +1899,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -1950,12 +1952,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -2011,57 +2013,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2158,8 +2160,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -2222,15 +2224,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2286,57 +2288,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2418,8 +2420,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -2471,15 +2473,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2535,57 +2537,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -2867,7 +2869,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.25 -0.06 0.18 0.05 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.05 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2960,6 +2961,7 @@ LS-scale= 1.673 Wilson Scale= 0.000 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -3228,8 +3230,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.77 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -3279,15 +3281,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3343,57 +3345,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3475,8 +3477,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -3525,15 +3527,15 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3589,57 +3591,57 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3721,8 +3723,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -3770,15 +3772,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3834,57 +3836,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3927,7 +3929,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -4291,8 +4292,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -4339,12 +4340,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -4400,57 +4401,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4532,8 +4533,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -4588,12 +4589,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -4649,57 +4650,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4781,8 +4782,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -4834,12 +4835,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -4895,57 +4896,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5040,8 +5041,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -5092,12 +5093,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -5153,57 +5154,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5285,8 +5286,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -5338,12 +5339,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -5399,57 +5400,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5531,8 +5532,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -5581,15 +5582,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -5645,57 +5646,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5777,8 +5778,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -5830,12 +5831,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -5891,57 +5892,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -6038,8 +6039,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -6102,15 +6103,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6166,57 +6167,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6298,8 +6299,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -6351,15 +6352,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6415,57 +6416,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -6475,7 +6476,7 @@ Inter cycle Rw -5.0 3.8 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 22 serial number 7 Address 126248 Length 318 Created on + Print list type 22 serial number 7 Address 126025 Length 318 Created on 74 parameter(s) in 1 block(s) - as follows: @@ -6567,7 +6568,7 @@ Inter cycle Rw -5.0 3.8 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 24 serial number 28 Address 129850 Length 168 Created on + Print list type 24 serial number 28 Address 129627 Length 168 Created on @@ -6706,6 +6707,7 @@ ___________ ___________ (3) NO #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -6747,7 +6749,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.25 -0.06 0.18 0.05 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.05 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -6838,6 +6839,7 @@ LS-scale= 1.673 Wilson Scale= 0.000 [91] - = -0.03 100*(-)/ = -0.47 #CYCLENDS #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -7106,8 +7108,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.76 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -7157,15 +7159,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7221,57 +7223,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7353,8 +7355,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -7403,15 +7405,15 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7467,57 +7469,57 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7599,8 +7601,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -7648,15 +7650,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7712,57 +7714,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -7805,7 +7807,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -8169,8 +8170,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -8220,12 +8221,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -8281,57 +8282,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -8413,8 +8414,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -8467,12 +8468,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.019 0.044 [03] Reversals @@ -8528,57 +8529,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -8660,8 +8661,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -8714,12 +8715,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -8775,57 +8776,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -8920,8 +8921,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.49 E-02 2.2 C 4 U[ISO] @@ -8973,12 +8974,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -9034,57 +9035,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9166,8 +9167,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -9218,12 +9219,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -9279,57 +9280,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9411,8 +9412,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -9464,12 +9465,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -9525,57 +9526,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9657,8 +9658,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -9710,12 +9711,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -9771,57 +9772,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9918,8 +9919,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 370.0 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -9982,15 +9983,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 370. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10046,57 +10047,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10178,8 +10179,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 74.0 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -10234,15 +10235,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10298,57 +10299,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -10358,7 +10359,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 22 serial number 11 Address 189087 Length 318 Created on + Print list type 22 serial number 11 Address 188796 Length 318 Created on 74 parameter(s) in 1 block(s) - as follows: @@ -10450,7 +10451,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 24 serial number 44 Address 192689 Length 168 Created on + Print list type 24 serial number 44 Address 192398 Length 168 Created on @@ -10589,6 +10590,7 @@ ___________ ___________ (3) NO #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -10630,7 +10632,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.25 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.03 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -10721,6 +10722,7 @@ LS-scale= 1.605 Wilson Scale= 0.000 [27] - = 0.2 100*(-)/ = 4. #CYCLENDS #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -10989,8 +10991,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.8 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.47 LAYER 1 @@ -11039,15 +11041,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11103,57 +11105,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11235,8 +11237,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -11290,15 +11292,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11354,57 +11356,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11486,8 +11488,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -11537,15 +11539,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11601,57 +11603,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -11694,7 +11696,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -12058,8 +12059,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -12109,12 +12110,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -12170,57 +12171,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -12302,8 +12303,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -12356,12 +12357,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.020 0.044 [03] Reversals @@ -12417,57 +12418,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -12549,8 +12550,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -12603,12 +12604,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -12664,57 +12665,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -12809,8 +12810,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.50 E-02 2.2 C 4 U[ISO] @@ -12862,12 +12863,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -12923,57 +12924,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13055,8 +13056,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -13107,12 +13108,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -13168,57 +13169,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13300,8 +13301,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -13353,12 +13354,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -13414,57 +13415,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13546,8 +13547,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -13599,12 +13600,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -13660,57 +13661,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -13807,8 +13808,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 369.9 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -13871,15 +13872,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 369. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13935,57 +13936,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14067,8 +14068,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 73.9 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -14123,15 +14124,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14187,57 +14188,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14247,7 +14248,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 22 serial number 15 Address 252133 Length 318 Created on + Print list type 22 serial number 15 Address 251551 Length 318 Created on 74 parameter(s) in 1 block(s) - as follows: @@ -14339,7 +14340,7 @@ Inter cycle Rw -5.0 7.0 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 24 serial number 60 Address 255735 Length 168 Created on + Print list type 24 serial number 60 Address 255153 Length 168 Created on @@ -14478,6 +14479,7 @@ ___________ ___________ (3) NO #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -14519,7 +14521,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.25 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.03 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -14610,6 +14611,7 @@ LS-scale= 1.605 Wilson Scale= 0.000 [27] - = 0.2 100*(-)/ = 4. #CYCLENDS #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -14878,8 +14880,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.7 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.48 LAYER 1 @@ -14928,15 +14930,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14992,57 +14994,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15124,8 +15126,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -15179,15 +15181,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15243,57 +15245,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15375,8 +15377,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -15426,15 +15428,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15490,57 +15492,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GH.org/lexical.out b/test_suite/MIN64GH.org/lexical.out index 12c3f2cc6..c0d11080d 100644 --- a/test_suite/MIN64GH.org/lexical.out +++ b/test_suite/MIN64GH.org/lexical.out @@ -33,10 +33,10 @@ # USE LAST #BONDCALC #LIST 29 -Bonds: Update required - There is no list 41 #BONDCALC # SPACES #LIST 16 +Bonds: Update required - There is no list 41 -- Original input to lexical analyzer: DIST 0.0, 1.0=MEAN CL(1) TO C(2),C(2)TO CL(3 ) , CL( 3 ) TO CL(1) DIST 0.0 ,1.0 = MEAN C -- C C==C C-5- C diff --git a/test_suite/MIN64GH.org/neutron.out b/test_suite/MIN64GH.org/neutron.out index 734f3484f..4877d4a19 100644 --- a/test_suite/MIN64GH.org/neutron.out +++ b/test_suite/MIN64GH.org/neutron.out @@ -37,7 +37,6 @@ Space group symbol is P 1 21/N 1 #LIST 3 # HERE IS THE MODEL, NOTE THE SPECIAL SHAPE FOR H(70). #LIST 5 -Bonds: Update required - There is no list 41 #LIST 30 #LIST 13 # READ IN REFLECTIONS @@ -238,6 +237,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #SFLS #SPEC NO NO #SCALE 1 @@ -395,8 +397,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -438,15 +440,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -491,97 +493,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -663,8 +665,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -708,12 +710,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -758,97 +760,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -930,8 +932,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -972,15 +974,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -1025,97 +1027,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1199,8 +1201,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1240,12 +1242,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -1290,97 +1292,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1462,8 +1464,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1507,12 +1509,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -1557,97 +1559,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1729,8 +1731,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1774,12 +1776,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1824,97 +1826,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1996,8 +1998,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -2034,15 +2036,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2087,97 +2089,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2274,8 +2276,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -2331,15 +2333,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2384,97 +2386,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2556,8 +2558,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -2600,15 +2602,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2653,97 +2655,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2828,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -2866,15 +2868,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -2919,97 +2921,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3091,8 +3093,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -3138,12 +3140,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -3188,97 +3190,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3459,11 +3461,11 @@ LS-scale= 0.312 Wilson Scale= 0.000 [91] Q 9. Q 14. 0.465 Deleted 8.1 List now contains 32 atoms -Bonds: Update required - List5 length change #COLLECT #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -3928,7 +3930,6 @@ Bonds: Update required - List5 length change C 6 C 7 C 8 C 9 H 51 H 81 H 82 H 83 H 91 H 92 H 93 H 70 List 5 now contains 19 atom(s) -Bonds: Update required - List5 length change #SFLS #SPEC LIS NO Checking SPECIAL positions subject to tolerance of .60000 Angstrom @@ -4021,8 +4022,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -4061,15 +4062,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4114,97 +4115,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4286,8 +4287,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -4330,15 +4331,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4383,97 +4384,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4555,8 +4556,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -4599,15 +4600,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4652,97 +4653,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -5128,8 +5129,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -5171,15 +5172,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -5224,97 +5225,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5396,8 +5397,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -5441,12 +5442,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -5491,97 +5492,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5663,8 +5664,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -5705,15 +5706,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -5758,97 +5759,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5932,8 +5933,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -5973,12 +5974,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -6023,97 +6024,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6195,8 +6196,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6240,12 +6241,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -6290,97 +6291,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6462,8 +6463,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6507,12 +6508,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6557,97 +6558,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6729,8 +6730,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6767,15 +6768,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6820,97 +6821,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7007,8 +7008,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -7064,15 +7065,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7117,97 +7118,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7289,8 +7290,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -7333,15 +7334,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7386,97 +7387,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7559,8 +7560,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -7599,15 +7600,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7652,97 +7653,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7824,8 +7825,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -7871,12 +7872,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7921,97 +7922,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8192,7 +8193,6 @@ LS-scale= 0.312 Wilson Scale= 0.000 [91] Q 9. Q 14. 0.465 Deleted 8.1 List now contains 32 atoms -Bonds: Update required - List5 length change #COLLECT #DISTANCE @@ -8659,7 +8659,6 @@ Bonds: Update required - List5 length change C 6 C 7 C 8 C 9 H 51 H 81 H 82 H 83 H 91 H 92 H 93 H 70 List 5 now contains 19 atom(s) -Bonds: Update required - List5 length change #SFLS #SPEC LIS NO Checking SPECIAL positions subject to tolerance of .60000 Angstrom @@ -8752,8 +8751,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -8792,15 +8791,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8845,97 +8844,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9017,8 +9016,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -9061,15 +9060,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9114,97 +9113,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9286,8 +9285,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -9330,15 +9329,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9383,97 +9382,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -9838,8 +9837,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -9900,15 +9899,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -9953,97 +9952,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -10125,8 +10124,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -10179,12 +10178,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -10229,97 +10228,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10401,8 +10400,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -10446,12 +10445,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -10496,97 +10495,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10670,8 +10669,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10711,12 +10710,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -10761,97 +10760,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10933,8 +10932,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10975,15 +10974,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11028,97 +11027,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11200,8 +11199,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -11238,15 +11237,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11291,97 +11290,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -11478,8 +11477,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -11538,15 +11537,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -11591,97 +11590,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11763,8 +11762,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -11810,12 +11809,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -11860,97 +11859,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12033,8 +12032,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -12073,15 +12072,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12126,97 +12125,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12298,8 +12297,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -12342,15 +12341,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12395,97 +12394,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12666,9 +12665,9 @@ LS-scale= 0.310 Wilson Scale= 0.000 [91] Q 2. Q 3. 0.308 Deleted 4.5 List now contains 33 atoms -Bonds: Update required - List5 length change #COLLECT #DISTANCE +Bonds: Update required - List5 length change THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -13158,7 +13157,6 @@ Bonds: Update required - List5 length change C 6 C 7 C 8 C 9 H 51 H 81 H 82 H 83 H 91 H 92 H 93 H 70 List 5 now contains 19 atom(s) -Bonds: Update required - List5 length change #SFLS #SPEC LIS NO Checking SPECIAL positions subject to tolerance of .60000 Angstrom @@ -13251,8 +13249,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -13291,15 +13289,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13344,97 +13342,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13516,8 +13514,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -13560,15 +13558,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13613,97 +13611,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13785,8 +13783,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -13829,15 +13827,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13882,97 +13880,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -14337,8 +14335,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -14399,15 +14397,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -14452,97 +14450,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -14624,8 +14622,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -14678,12 +14676,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -14728,97 +14726,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14900,8 +14898,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -14945,12 +14943,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -14995,97 +14993,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15169,8 +15167,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15210,12 +15208,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -15260,97 +15258,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15432,8 +15430,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15474,15 +15472,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15527,97 +15525,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15699,8 +15697,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15737,15 +15735,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15790,97 +15788,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15977,8 +15975,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -16037,15 +16035,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -16090,97 +16088,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16262,8 +16260,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -16309,12 +16307,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -16359,97 +16357,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16532,8 +16530,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -16572,15 +16570,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16625,97 +16623,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16797,8 +16795,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -16841,15 +16839,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16894,97 +16892,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17165,7 +17163,6 @@ LS-scale= 0.310 Wilson Scale= 0.000 [91] Q 2. Q 3. 0.308 Deleted 4.5 List now contains 33 atoms -Bonds: Update required - List5 length change #COLLECT #DISTANCE @@ -17657,7 +17654,6 @@ Bonds: Update required - List5 length change C 6 C 7 C 8 C 9 H 51 H 81 H 82 H 83 H 91 H 92 H 93 H 70 List 5 now contains 19 atom(s) -Bonds: Update required - List5 length change #SFLS #SPEC LIS NO Checking SPECIAL positions subject to tolerance of .60000 Angstrom @@ -17750,8 +17746,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -17790,15 +17786,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17843,97 +17839,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18015,8 +18011,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -18059,15 +18055,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18112,97 +18108,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18284,8 +18280,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -18328,15 +18324,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18381,97 +18377,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GH.org/partial.out b/test_suite/MIN64GH.org/partial.out index 1035d4548..1cd13f4be 100644 --- a/test_suite/MIN64GH.org/partial.out +++ b/test_suite/MIN64GH.org/partial.out @@ -31,7 +31,6 @@ Space group symbol is P 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - There is no list 41 #LIST 23 #USE PARTIAL.HKL #LIST 6 @@ -54,6 +53,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #SFLS #SPEC NO NO #SCALE 1 @@ -363,8 +365,8 @@ LS-scale= 6.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.71E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 5.71E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 6E-04 S/ESD 1 1 -0.192 0.0E+00 0.182E-01 -10.60 SCALE [14] S/ESD 52 52 -0.033 0.0E+00 0.22 E-01 -1.4 C 5 U[33] [14] S/ESD 54 54 -0.013 0.0E+00 0.12 E-01 -1.1 C 5 U[13] @@ -430,12 +432,12 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.028 0.044 +[31] 0.044 0.028 0.044 [70] Maximum 0. 0.00 0.00 0.01 0.01 0.01 0.13 0.05 0.11 0.08 0.03 0.10 -[31] 0.189 0.127 0.136 +[31] 0.189 0.128 0.137 [03] Reversals @@ -480,167 +482,167 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.01 0.01 -[31] 0.030 0.031 0.025 +[31] 0.030 0.031 0.025 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.028 0.039 +[31] 0.033 0.028 0.040 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.029 0.033 +[31] 0.035 0.029 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 -[31] 0.028 0.040 0.043 +[31] 0.028 0.040 0.044 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.025 0.039 +[31] 0.033 0.026 0.040 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.03 -[31] 0.040 0.043 0.031 +[31] 0.041 0.044 0.032 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.036 0.025 0.049 +[31] 0.036 0.025 0.050 [37] C 13. 1.00 0.00 -0.16 -0.29 0.04 0.65 [37] 0.00 0.01 -0.01 0.00 0.13 0.05 0.00 -0.01 0.02 -0.10 [37] 0.00 0.00 0.00 0.00 0.10 0.08 0.03 0.04 0.05 0.08 -[31] 0.083 0.063 0.052 +[31] 0.083 0.064 0.052 [37] C 14. 1.00 0.00 -0.34 0.00 -0.11 0.12 [37] 0.00 0.00 0.00 -0.01 0.00 0.02 0.11 -0.08 0.03 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.07 0.06 0.04 0.03 -[31] 0.047 0.053 0.074 +[31] 0.048 0.053 0.075 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.13 [37] 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.040 0.027 0.049 +[31] 0.040 0.028 0.050 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.024 +[31] 0.028 0.022 0.025 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.021 +[31] 0.022 0.017 0.021 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.016 0.022 +[31] 0.022 0.017 0.022 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.017 0.021 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.022 0.018 0.025 +[31] 0.022 0.018 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -[31] 0.023 0.018 0.027 +[31] 0.023 0.018 0.027 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.017 0.023 +[31] 0.022 0.017 0.024 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.016 0.020 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.016 0.021 +[31] 0.021 0.017 0.021 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.025 0.022 0.025 +[31] 0.025 0.023 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.025 0.023 0.024 +[31] 0.026 0.024 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.026 0.031 +[31] 0.028 0.026 0.032 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.028 0.024 0.032 +[31] 0.028 0.024 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.024 0.033 +[31] 0.033 0.025 0.034 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.023 0.028 +[31] 0.030 0.023 0.029 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.027 0.019 0.032 +[31] 0.028 0.020 0.032 [37] C 122. 1.00 0.00 0.26 0.31 -0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.024 0.018 0.026 +[31] 0.025 0.019 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.024 0.029 +[31] 0.030 0.024 0.030 [37] C 124. 1.00 0.00 0.54 -0.54 0.58 0.14 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.03 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.023 0.036 +[31] 0.033 0.023 0.036 [37] O 109. 1.00 0.00 0.50 -0.41 0.58 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.014 0.019 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.014 +[31] 0.016 0.012 0.015 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.019 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.043 0.091 0.464 0.199 0.122 0.977 Might be split @@ -728,8 +730,8 @@ LS-scale= 6.236 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.30E-04 +[80a] Block No 1. Single precision relative error: 8E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8E-04 S/ESD 1 1 0.022 -0.1E+00 0.160E-01 1.36 SCALE [14a] LARGE 77 77 0.060 0.4E+00 0.10 E+00 0.5 C 13 U[11] [14] S/ESD 230 230 0.011 -0.5E+00 0.97 E-02 1.1 C 120 U[11] @@ -776,12 +778,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.011 0.009 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.06 0.03 0.02 0.01 0.01 0.04 -[31] 0.053 0.032 0.055 +[31] 0.053 0.032 0.055 [03] Reversals @@ -826,167 +828,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.028 0.021 +[31] 0.028 0.028 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.027 0.039 +[31] 0.033 0.027 0.039 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.030 0.033 +[31] 0.036 0.030 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 -[31] 0.026 0.038 0.038 +[31] 0.026 0.038 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.022 0.031 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.029 +[31] 0.038 0.042 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.023 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.71 [37] 0.00 0.00 0.00 0.00 0.06 0.03 0.00 0.00 0.00 -0.04 [37] 0.00 0.00 0.00 0.00 0.10 0.07 0.02 0.03 0.04 0.08 -[31] 0.084 0.061 0.047 +[31] 0.084 0.061 0.047 [37] C 14. 1.00 0.00 -0.34 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.08 0.06 0.04 0.03 -[31] 0.043 0.050 0.074 +[31] 0.043 0.051 0.074 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.046 +[31] 0.038 0.026 0.046 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.020 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.019 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.023 0.029 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.030 +[31] 0.027 0.022 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.031 +[31] 0.032 0.022 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.027 0.018 0.031 +[31] 0.027 0.019 0.031 [37] C 122. 1.00 0.00 0.26 0.31 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.017 0.026 +[31] 0.023 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.020 0.027 +[31] 0.028 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.15 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.033 0.020 0.037 +[31] 0.034 0.020 0.037 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.094 0.446 0.197 0.128 0.835 Might be split @@ -1074,8 +1076,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.06E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9.06E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1119,12 +1121,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.005 +[31] 0.005 0.003 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 -[31] 0.019 0.013 0.016 +[31] 0.020 0.013 0.017 [03] Reversals @@ -1169,167 +1171,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.028 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.028 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.038 0.039 +[31] 0.025 0.038 0.040 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.023 0.033 +[31] 0.030 0.024 0.034 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.042 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.047 +[31] 0.035 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.063 0.048 +[31] 0.088 0.064 0.048 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.04 0.03 -[31] 0.046 0.051 0.078 +[31] 0.046 0.051 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.026 0.047 +[31] 0.039 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.016 0.022 +[31] 0.021 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.026 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.022 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.022 0.032 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.021 0.026 +[31] 0.027 0.021 0.026 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.021 0.039 +[31] 0.035 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.049 0.095 0.447 0.197 0.128 0.859 Might be split @@ -1417,8 +1419,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.99E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.99E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1459,15 +1461,15 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.004 +[31] 0.002 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -[31] 0.006 0.005 0.018 +[31] 0.007 0.006 0.018 [03] Reversals @@ -1512,167 +1514,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.027 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.029 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.025 0.038 0.038 +[31] 0.025 0.039 0.039 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.023 0.032 +[31] 0.030 0.024 0.033 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.041 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.12 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.064 0.048 +[31] 0.089 0.064 0.049 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.046 0.052 0.080 +[31] 0.047 0.052 0.080 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.027 0.046 +[31] 0.040 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.025 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.022 0.024 +[31] 0.025 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.031 +[31] 0.028 0.022 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.021 0.031 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.021 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.036 0.021 0.041 +[31] 0.036 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.095 0.445 0.197 0.128 0.837 Might be split @@ -1687,7 +1689,7 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 23 serial number 3 Address 35149 Length 78 Created on + Print list type 23 serial number 3 Address 33947 Length 78 Created on @@ -2418,8 +2420,8 @@ LS-scale= 6.259 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.90E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.90E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2459,12 +2461,12 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.005 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.00 -[31] 0.015 0.009 0.009 +[31] 0.016 0.009 0.009 [03] Reversals @@ -2509,167 +2511,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.025 0.034 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.037 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.031 +[31] 0.029 0.023 0.032 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.01 0.02 0.01 -[31] 0.033 0.022 0.046 +[31] 0.033 0.023 0.046 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.045 0.049 0.076 +[31] 0.046 0.050 0.077 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.038 0.026 0.044 +[31] 0.038 0.026 0.045 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.025 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.023 0.021 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.022 0.027 +[31] 0.025 0.023 0.027 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.026 0.021 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.030 +[31] 0.031 0.021 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.025 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.020 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.825 Might be split @@ -2757,8 +2759,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.76E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.76E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2799,15 +2801,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.011 +[31] 0.005 0.003 0.011 [03] Reversals @@ -2852,167 +2854,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.034 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.037 0.037 +[31] 0.024 0.037 0.037 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.030 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.046 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.020 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.833 Might be split @@ -3100,8 +3102,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.95E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.95E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3142,15 +3144,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.004 0.002 0.005 [03] Reversals @@ -3195,167 +3197,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.029 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.062 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.047 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split @@ -3443,8 +3445,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.77E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.77E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3481,15 +3483,15 @@ All cycle Rw 0.0 15. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.002 0.005 [03] Reversals @@ -3534,167 +3536,167 @@ All cycle Rw 0.0 15. 0.10E+03 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.037 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.046 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.10 0.06 0.05 0.03 -[31] 0.047 0.048 0.078 +[31] 0.047 0.049 0.079 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.021 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split @@ -3709,7 +3711,7 @@ All cycle Rw 0.0 15. 0.10E+03 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 23 serial number 4 Address 35149 Length 78 Created on + Print list type 23 serial number 4 Address 33947 Length 78 Created on diff --git a/test_suite/MIN64GH.org/regtest.out b/test_suite/MIN64GH.org/regtest.out index 3e7071617..09e60d54d 100644 --- a/test_suite/MIN64GH.org/regtest.out +++ b/test_suite/MIN64GH.org/regtest.out @@ -2,6 +2,7 @@ #SET PRINT OFF #TITLE TEST 1 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -100,7 +101,6 @@ Summary of Deviations List 5 now contains 21 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 21 atoms @@ -136,9 +136,9 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 20 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 2 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -270,7 +270,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 26 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 26 atoms @@ -311,6 +310,7 @@ Bonds: Update required - List5 length change #SET PRINT OFF #TITLE TEST 3 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -409,7 +409,6 @@ Summary of Deviations List 5 now contains 21 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 21 atoms @@ -445,9 +444,9 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 20 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 4 #REGULAR KEEP +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -579,7 +578,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 26 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 26 atoms @@ -621,6 +619,7 @@ Bonds: Update required - List5 length change #SET PRINT OFF #TITLE TEST 5 #REGULAR AUGMENT +Bonds: Update required - List5 length change Input: mapping 6 atoms onto 6 Matching by Rotation/inversion (Method 1) @@ -719,7 +718,6 @@ Summary of Deviations List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -750,7 +748,6 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 15 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 6 #REGULAR AUGMENT Input: mapping 6 atoms onto 6 @@ -884,7 +881,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1013,7 +1009,6 @@ Summary of Deviations List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1044,7 +1039,6 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 15 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 8 #REGULAR REPLACE Input: mapping 6 atoms onto 6 @@ -1178,7 +1172,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1308,7 +1301,6 @@ Summary of Deviations List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1339,7 +1331,6 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 15 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 10 #REGULAR REPLACE Input: mapping 6 atoms onto 6 @@ -1473,7 +1464,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1602,7 +1592,6 @@ Summary of Deviations List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1633,7 +1622,6 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted Q 6 List 5 now contains 15 atom(s) -Bonds: Update required - List5 length change #TITLE TEST 12 #REGULAR REPLACE Input: mapping 6 atoms onto 6 @@ -1767,7 +1755,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change #DISP HI Summary of contents of list 5 - Parameters The list currently contains 16 atoms @@ -1930,7 +1917,6 @@ Individual Delta 0.004 0.008 O4 - O104 List 5 now contains 16 atoms list modification complete -Bonds: Update required - List5 length change The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part Uiso Size D/100 A/100 diff --git a/test_suite/MIN64GH.org/regular.out b/test_suite/MIN64GH.org/regular.out index 2394e6c24..9ad46a8f3 100644 --- a/test_suite/MIN64GH.org/regular.out +++ b/test_suite/MIN64GH.org/regular.out @@ -31,9 +31,11 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - There is no list 41 #LIST 30 #USE REGU.DAT +#EDIT +#BONDCALC +Bonds: Update required - There is no list 41 #EDIT The list currently contains 68 atoms S 1 N 1 N 2 C 1 C 2 C 3 C 4 @@ -487,7 +489,6 @@ Space group symbol is P 1 21/N 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -1002,7 +1003,6 @@ Space group symbol is P 1 21 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -1524,7 +1524,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -1937,7 +1936,6 @@ Space group symbol is P 21 21 21 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -2609,7 +2607,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -3226,7 +3223,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -3568,7 +3564,6 @@ Space group symbol is P 1 21/N 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -3993,7 +3988,6 @@ Space group symbol is P 1 21 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -4896,7 +4890,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -5309,7 +5302,6 @@ Space group symbol is P 21 21 21 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -5817,7 +5809,6 @@ Space group symbol is P B C A #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -6261,7 +6252,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -6765,7 +6755,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -6826,7 +6815,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -6927,7 +6915,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -7634,7 +7621,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -7691,7 +7677,6 @@ Space group symbol is P -1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -8086,7 +8071,6 @@ Space group symbol is P 1 21/C 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT @@ -9089,7 +9073,6 @@ Space group symbol is P N A 21 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - List5 length change #LIST 30 #USE REGU.DAT #EDIT diff --git a/test_suite/MIN64GH.org/restrain.out b/test_suite/MIN64GH.org/restrain.out index 491a74041..b9798bec8 100644 --- a/test_suite/MIN64GH.org/restrain.out +++ b/test_suite/MIN64GH.org/restrain.out @@ -10,7 +10,6 @@ # OF C AND O INTERCHANGED AND EXPANDED # #LIST 29 -Bonds: Update required - There is no list 41 #LIST 12 #LIST 23 #LIST 16 @@ -22,6 +21,9 @@ Bonds: Update required - There is no list 41 Refining 21 parameters in 4 block : 148 elements in the LS matrix. Space required on DISK is 1 records, 2 Blocks, 1 Kbytes. #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #CHECK #LIST 16 @@ -1602,7 +1604,6 @@ Space group symbol is P 1 21/C 1 Y axis from 0.000 to 0.500 Z axis from 0.000 to 0.500 #LIST 5 -Bonds: Update required - List5 length change #LIST 12 #LIST 16 #CHECK @@ -1621,104 +1622,104 @@ Refining 1 parameters in 1 block : 19 elements in the LS matrix. 0 COMPILER 1 EXECUT - Listing of the code chain. Chain base = 779 Data base =16777216 Control block : 7791677697216777216 - 0 779 779 12 -1000779 -1000000 -1000000 0 6 789 -243 0 - Work stack header at 785 : -1000000 6 -244 0 -1000000 0 - Function at 779 : 10 executioN + Listing of the code chain. Chain base = 880 Data base =16777216 Control block : 8801677697216777216 + 0 880 880 12 -1000880 -1000000 -1000000 0 6 890 -243 0 + Work stack header at 886 : -1000000 6 -244 0 -1000000 0 + Function at 880 : 10 executioN 2 SUM LAYER SCALES - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1026 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 LAYER - Overall parameter header at 816 : -1000000 2 2 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1026 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 LAYER + Overall parameter header at 917 : -1000000 2 2 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 3 SUM ELEMENT SCALES - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1027 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 ELEMENT - Overall parameter header at 816 : -1000000 3 1 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1027 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 ELEMENT + Overall parameter header at 917 : -1000000 3 1 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 4 SUM BATCH SCALES - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1028 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 BATCH - Overall parameter header at 816 : -1000000 4 2 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1028 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 BATCH + Overall parameter header at 917 : -1000000 4 2 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 5 SUM X - Listing of the code chain. Chain base = 783 Data base =16777216 Control block : 7831677697216777216 - 0 783 783 55 12 -999217 -1000000 1 6 793 -287 0 - Work stack header at 789 : -1000000 6 -244 44 -1000000 0 - Atom header at 795 : 29 1024 FIRS 0. 3 46 1 1 0 0 0 + Listing of the code chain. Chain base = 884 Data base =16777216 Control block : 8841677697216777216 + 0 884 884 55 12 -999116 -1000000 1 6 894 -287 0 + Work stack header at 890 : -1000000 6 -244 44 -1000000 0 + Atom header at 896 : 29 1024 FIRS 0. 3 46 1 1 0 0 0 -1000000 -1000000 -1000000 -265 -287 - 829 : 49 5 X - 832 : 52 6 Y - 835 : -1000000 7 Z - Atom header at 812 : -1000000 0 LAST 0. -1000000 -1000000 1 1 0 0 0 + 930 : 49 5 X + 933 : 52 6 Y + 936 : -1000000 7 Z + Atom header at 913 : -1000000 0 LAST 0. -1000000 -1000000 1 1 0 0 0 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 783 : 15 sum + Function at 884 : 15 sum 6 SUM CELL PARAMETERS - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1029 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 CELL - Overall parameter header at 816 : -1000000 5 2 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1029 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 CELL + Overall parameter header at 917 : -1000000 5 2 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 7 SUM PROFILE(1) PROFILE(2) PROFILE(3) - Listing of the code chain. Chain base = 827 Data base =16777216 Control block : 8271677697216777216 - 0 827 827 63 12 -999173 -1000000 3 6 837 -5321 0 - Work stack header at 833 : -1000000 6 -244 5078 -1000000 0 - Overall parameter header at 839 : 29 6 1 1 19 - -1000000 -1000000 -1000000 -1073 -1903 - 846 : -1000000 1 PROFILE - Overall parameter header at 856 : 46 6 2 1 36 - -1000000 -1000000 -1000000 -2749 -3595 - 863 : -1000000 2 PROFILE - Overall parameter header at 873 : -1000000 6 3 1 53 - -1000000 -1000000 -1000000 -4458 -5321 - 880 : -1000000 3 PROFILE - Function at 827 : 15 sum + Listing of the code chain. Chain base = 928 Data base =16777216 Control block : 9281677697216777216 + 0 928 928 63 12 -999072 -1000000 3 6 938 -5927 0 + Work stack header at 934 : -1000000 6 -244 5684 -1000000 0 + Overall parameter header at 940 : 29 6 1 1 19 + -1000000 -1000000 -1000000 -1174 -2105 + 947 : -1000000 1 PROFILE + Overall parameter header at 957 : 46 6 2 1 36 + -1000000 -1000000 -1000000 -3052 -3999 + 964 : -1000000 2 PROFILE + Overall parameter header at 974 : -1000000 6 3 1 53 + -1000000 -1000000 -1000000 -4963 -5927 + 981 : -1000000 3 PROFILE + Function at 928 : 15 sum 8 SUM PROFILE PARAMETERS - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1030 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 PROFILE - Overall parameter header at 816 : -1000000 6 3 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1030 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 PROFILE + Overall parameter header at 917 : -1000000 6 3 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum 9 SUM EXTINCTION PARAMETERS - Listing of the code chain. Chain base = 787 Data base =16777216 Control block : 7871677697216777216 - 0 787 787 46 12 -999213 -1000000 1 6 797 -1823 0 - Work stack header at 793 : -1000000 6 -244 1580 -1000000 0 - Overall parameter header at 799 : 29 1031 1 1 19 - -1000000 -1000000 -1000000 -1033 -1823 - 806 : -1000000 -1000000 EXTINCTI - Overall parameter header at 816 : -1000000 7 2 -1000000 -1000000 + Listing of the code chain. Chain base = 888 Data base =16777216 Control block : 8881677697216777216 + 0 888 888 46 12 -999112 -1000000 1 6 898 -2025 0 + Work stack header at 894 : -1000000 6 -244 1782 -1000000 0 + Overall parameter header at 900 : 29 1031 1 1 19 + -1000000 -1000000 -1000000 -1134 -2025 + 907 : -1000000 -1000000 EXTINCTI + Overall parameter header at 917 : -1000000 7 2 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 -1000000 - Function at 787 : 15 sum + Function at 888 : 15 sum #CHECK @@ -1741,10 +1742,10 @@ Refining 1 parameters in 1 block : 19 elements in the LS matrix. Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6151677697216777216 - 564 -999436 787 46 576 -999213 -1000000 2 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 2 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 593 2 1 1 583 - 31 500 -1000000 16776183 16775393 + 31 500 -1000000 16776082 16775191 583 : -999436 1 LAYER Overall parameter header at 593 : -999436 2 2 1 612 32 500 -1000000 611 610 @@ -1763,10 +1764,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6101677697216777216 - 564 -999436 787 46 576 -999213 -1000000 1 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 1 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : -999436 1027 1 1 583 - 41 503 -1000000 16776183 16775393 + 41 503 -1000000 16776082 16775191 583 : -999436 -1000000 ELEMENT Function at 564 : 15 sum 1.3000 @@ -1781,10 +1782,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6151677697216777216 - 564 -999436 787 46 576 -999213 -1000000 2 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 2 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 593 4 1 1 583 - 50 506 -1000000 16776183 16775393 + 50 506 -1000000 16776082 16775191 583 : -999436 1 BATCH Overall parameter header at 593 : -999436 4 2 1 612 51 506 -1000000 611 610 @@ -1806,7 +1807,7 @@ ___________ C 2. 1.00000 1.00000 0.20000 0.30000 0.40000 0.05000 0.00000 0.00000 0.00000 0.00000 0.00000 Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6721677697216777216 - 564 -999436 783 55 576 -999217 -1000000 2 570 793 16776928 0 + 564 -999436 884 55 576 -999116 -1000000 2 570 894 16776928 0 Work stack header at 570 : -1000000 6 -244 44 -999436 0 Atom header at 576 : 593 0 C 1. 3 610 1 1 0 0 0 91 4941065353216 16776951 16776929 @@ -1832,10 +1833,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6151677697216777216 - 564 -999436 787 46 576 -999213 -1000000 2 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 2 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 593 5 1 1 583 - 60 509 -1000000 16776183 16775393 + 60 509 -1000000 16776082 16775191 583 : -999436 1 CELL Overall parameter header at 593 : -999436 5 2 1 612 61 509 -1000000 611 610 @@ -1854,16 +1855,16 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6271677697216777216 - 564 -999436 827 63 576 -999173 -1000000 3 570 837 16771894 0 - Work stack header at 570 : -1000000 6 -244 5078 -999436 0 + 564 -999436 928 63 576 -999072 -1000000 3 570 938 16771288 0 + Work stack header at 570 : -1000000 6 -244 5684 -999436 0 Overall parameter header at 576 : 593 6 1 1 583 - 70 512 -1000000 16776143 16775313 + 70 512 -1000000 16776042 16775111 583 : -999436 1 PROFILE Overall parameter header at 593 : 610 6 2 1 600 - 71 512 -1000000 16774467 16773621 + 71 512 -1000000 16774164 16773217 600 : -999436 2 PROFILE Overall parameter header at 610 : -999436 6 3 1 617 - 72 512 -1000000 16772758 16771895 + 72 512 -1000000 16772253 16771289 617 : -999436 3 PROFILE Function at 564 : 15 sum 1.6000 @@ -1880,10 +1881,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6371677697216777216 - 564 -999436 787 46 576 -999213 -1000000 3 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 3 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 610 6 1 1 583 - 70 512 -1000000 16776183 16775393 + 70 512 -1000000 16776082 16775191 583 : -999436 1 PROFILE Overall parameter header at 610 : 593 6 2 1 629 71 512 -1000000 628 627 @@ -1906,10 +1907,10 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 6151677697216777216 - 564 -999436 787 46 576 -999213 -1000000 2 570 797 16775392 0 - Work stack header at 570 : -1000000 6 -244 1580 -999436 0 + 564 -999436 888 46 576 -999112 -1000000 2 570 898 16775190 0 + Work stack header at 570 : -1000000 6 -244 1782 -999436 0 Overall parameter header at 576 : 593 7 1 1 583 - 81 515 -1000000 16776183 16775393 + 81 515 -1000000 16776082 16775191 583 : -999436 1 EXTINCTI Overall parameter header at 593 : -999436 7 2 1 612 82 515 -1000000 611 610 @@ -1928,7 +1929,7 @@ ___________ Listing of the code chain. Chain base = 0 Data base = 0 Control block : 5761677697216777216 - 564 -999436 987 12 -1000423 -1000000 -1000000 0 570 997 16776972 0 + 564 -999436 1088 12 -1000524 -1000000 -1000000 0 570 1098 16776972 0 Work stack header at 570 : -1000000 6 -244 0 -999436 0 Function at 564 : 11 Nolist ___________ diff --git a/test_suite/MIN64GH.org/sgd464.out b/test_suite/MIN64GH.org/sgd464.out index b347b90ef..fb4346f18 100644 --- a/test_suite/MIN64GH.org/sgd464.out +++ b/test_suite/MIN64GH.org/sgd464.out @@ -52,8 +52,8 @@ Refining 263 parameters in 1 block : 35258 elements in the LS matrix. #LIST 26 #BONDCALC #LIST 29 -Bonds: Update required - There is no list 41 #BONDCALC +Bonds: Update required - There is no list 41 #LIST 26 #CHECK HI @@ -172,10 +172,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.7 0.0E+00 0.2 E+01 -0.3 ENANTIO [14] S/ESD 6 6 -0.018 0.0E+00 0.11 E-01 -1.7 CL 1 U[11] [14] S/ESD 24 24 0.021 0.0E+00 0.19 E-01 1.1 CL 3 U[11] @@ -218,15 +218,15 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [38] Mean -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.05 0.02 0.01 0.01 -[31] 0.010 0.016 0.015 +[31] 0.011 0.016 0.015 [03] Reversals @@ -271,147 +271,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.028 +[31] 0.030 0.030 0.028 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.099 0.096 0.090 +[31] 0.099 0.097 0.091 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.05 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.02 0.01 -[31] 0.040 0.040 0.052 +[31] 0.040 0.041 0.052 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.01 [37] 0.00 0.00 0.00 0.00 0.04 0.01 0.01 0.01 0.02 0.02 -[31] 0.049 0.044 0.035 +[31] 0.050 0.044 0.035 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.040 0.048 0.037 +[31] 0.040 0.049 0.038 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.061 0.054 +[31] 0.058 0.061 0.054 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.058 0.058 +[31] 0.060 0.059 0.059 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.043 0.044 +[31] 0.044 0.043 0.045 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.03 0.02 0.02 0.02 -[31] 0.068 0.061 0.064 +[31] 0.068 0.062 0.064 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.041 0.048 0.040 +[31] 0.042 0.049 0.040 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.060 0.061 0.061 +[31] 0.061 0.061 0.062 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.048 +[31] 0.049 0.053 0.049 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.062 0.055 +[31] 0.059 0.062 0.055 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.064 0.068 0.063 +[31] 0.065 0.069 0.063 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.045 0.045 0.045 +[31] 0.046 0.046 0.046 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.060 0.067 0.062 +[31] 0.061 0.067 0.063 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.061 0.066 0.060 +[31] 0.061 0.067 0.061 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.03 0.02 0.03 -[31] 0.066 0.075 0.068 +[31] 0.066 0.076 0.068 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.081 0.086 0.075 +[31] 0.082 0.086 0.075 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.078 0.086 0.073 +[31] 0.078 0.087 0.074 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.081 0.079 0.088 +[31] 0.082 0.079 0.088 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.065 0.069 0.070 +[31] 0.066 0.069 0.070 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.08 0.03 0.04 0.02 0.04 -[31] 0.076 0.110 0.069 +[31] 0.076 0.111 0.069 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.02 0.03 0.02 0.03 -[31] 0.067 0.081 0.061 +[31] 0.068 0.081 0.062 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.03 0.03 0.02 0.03 -[31] 0.068 0.076 0.074 +[31] 0.069 0.076 0.074 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.05 0.04 0.04 0.03 0.04 -[31] 0.073 0.098 0.078 +[31] 0.073 0.099 0.079 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.02 0.03 -[31] 0.077 0.093 0.066 +[31] 0.077 0.094 0.067 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.03 0.03 0.03 0.04 -[31] 0.089 0.087 0.074 +[31] 0.090 0.088 0.075 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.04 -[31] 0.077 0.091 0.071 +[31] 0.077 0.092 0.072 [84] Mean C-C su = 0.07 #CYCLENDS #SFLS @@ -495,10 +495,10 @@ LS-scale= 0.437 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+00 0.2 E+00 0.3 ENANTIO [14] S/ESD 24 24 0.010 0.5E+00 0.23 E-02 4.2 CL 3 U[11] [14] S/ESD 26 26 0.011 -0.2E+00 0.32 E-02 3.4 CL 3 U[33] @@ -538,15 +538,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.008 [03] Reversals @@ -591,147 +591,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -815,10 +815,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.6E+00 0.2 E+00 -0.2 ENANTIO for 263 parameters @@ -856,15 +856,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -909,147 +909,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1133,10 +1133,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -1177,12 +1177,12 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1227,147 +1227,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1451,10 +1451,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.94E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.94E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -1492,15 +1492,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1545,147 +1545,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -1703,16 +1703,16 @@ ___________ Atom CL(1), basis: CL(1),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.0 Uc[2,3]==0 Atom CL(3), basis: CL(3),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom CL(4), basis: CL(4),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -1872,8 +1872,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.81E-04 +[80a] Block No 1. Single precision relative error: 10E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 10E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+00 -0.2 ENANTIO [14] S/ESD 168 168 -0.011 0.0E+00 0.89 E-02 -1.2 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.75 E-02 1.8 C 19 U[33] @@ -1918,12 +1918,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.011 0.013 0.015 +[31] 0.011 0.013 0.016 [03] Reversals @@ -1968,147 +1968,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.021 0.020 0.019 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.010 +[31] 0.008 0.008 0.011 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.007 +[31] 0.010 0.009 0.007 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.013 +[31] 0.014 0.013 0.013 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.014 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.018 0.016 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.018 0.015 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.018 +[31] 0.017 0.016 0.018 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.022 0.014 +[31] 0.016 0.023 0.014 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.014 0.017 0.013 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.016 +[31] 0.015 0.020 0.016 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.019 0.014 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.015 +[31] 0.018 0.018 0.015 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.014 +[31] 0.016 0.019 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2192,10 +2192,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.15E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2.15E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -2233,15 +2233,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -2286,147 +2286,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2510,8 +2510,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.05E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.05E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 0.4E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -2552,12 +2552,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2602,147 +2602,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2826,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.07E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 -0.0 -0.5E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -2865,15 +2865,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2918,147 +2918,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3142,8 +3142,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.15E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.15E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 -0.2E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -3184,12 +3184,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.004 +[31] 0.002 0.004 0.004 [03] Reversals @@ -3234,147 +3234,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -3392,12 +3392,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -3557,10 +3557,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.73E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.23E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.23E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.11 E-01 1.1 C 19 U[33] [14] S/ESD 213 213 0.015 0.0E+00 0.80 E-02 1.8 C 24 U[11] @@ -3604,12 +3604,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.015 +[31] 0.011 0.014 0.015 [03] Reversals @@ -3654,147 +3654,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.029 +[31] 0.032 0.031 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.014 0.011 +[31] 0.016 0.015 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.019 0.019 0.019 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.020 +[31] 0.022 0.020 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.013 +[31] 0.013 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.015 +[31] 0.016 0.017 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.020 +[31] 0.020 0.022 0.020 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.019 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.025 0.022 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.028 0.024 +[31] 0.026 0.028 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.028 0.024 +[31] 0.025 0.028 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.025 0.028 +[31] 0.027 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.022 +[31] 0.021 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.024 0.036 0.022 +[31] 0.025 0.036 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.022 0.026 0.020 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.024 0.024 +[31] 0.022 0.025 0.024 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.025 +[31] 0.024 0.032 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.025 0.030 0.021 +[31] 0.025 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.028 0.024 +[31] 0.029 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.023 +[31] 0.025 0.030 0.023 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -3878,10 +3878,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.83E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.41E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.41E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -3922,12 +3922,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -3972,147 +3972,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4196,10 +4196,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.38E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.38E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.5E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4237,15 +4237,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.005 +[31] 0.003 0.003 0.005 [03] Reversals @@ -4290,147 +4290,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4514,10 +4514,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.91E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.55E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.55E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -4555,15 +4555,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -4608,147 +4608,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4832,10 +4832,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.82E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.39E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.39E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4876,12 +4876,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -4926,147 +4926,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -5084,12 +5084,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.0 Uc[2,3]=0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.0 Uc[2,3]=0 ___________ (1) NO ___________ @@ -5271,10 +5271,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.59E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.96E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.96E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 234 234 -0.022 0.0E+00 0.42 E-02 -5.2 C 26 U[23] [14] S/ESD 252 252 0.013 0.0E+00 0.38 E-02 3.4 C 28 U[23] @@ -5318,12 +5318,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.02 0.00 0.01 -[31] 0.009 0.013 0.015 +[31] 0.010 0.013 0.016 [03] Reversals @@ -5368,147 +5368,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.071 0.069 0.065 +[31] 0.072 0.070 0.066 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.03 0.01 0.01 0.01 -[31] 0.028 0.029 0.037 +[31] 0.029 0.029 0.038 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.02 -[31] 0.035 0.032 0.025 +[31] 0.036 0.032 0.025 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.035 0.027 +[31] 0.029 0.035 0.027 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.044 0.039 +[31] 0.042 0.044 0.039 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.042 0.042 +[31] 0.043 0.042 0.042 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.031 0.032 +[31] 0.032 0.031 0.032 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.049 0.044 0.046 +[31] 0.049 0.044 0.046 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.035 0.029 +[31] 0.030 0.035 0.029 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.044 0.044 +[31] 0.044 0.044 0.045 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.038 0.035 +[31] 0.035 0.038 0.035 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.045 0.039 +[31] 0.043 0.045 0.040 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.046 0.049 0.045 +[31] 0.047 0.050 0.046 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.033 +[31] 0.033 0.033 0.033 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.048 0.045 +[31] 0.044 0.048 0.045 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.044 0.048 0.043 +[31] 0.044 0.048 0.044 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.054 0.049 +[31] 0.048 0.055 0.049 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.062 0.054 +[31] 0.059 0.062 0.055 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.056 0.062 0.053 +[31] 0.057 0.063 0.053 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.057 0.063 +[31] 0.059 0.057 0.064 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.047 0.050 0.050 +[31] 0.048 0.050 0.051 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.03 -[31] 0.055 0.080 0.049 +[31] 0.055 0.080 0.050 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.00 0.00 -[31] 0.048 0.058 0.044 +[31] 0.049 0.059 0.045 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.049 0.054 0.053 +[31] 0.050 0.055 0.054 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.052 0.071 0.056 +[31] 0.053 0.071 0.057 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.01 0.00 -[31] 0.055 0.067 0.048 +[31] 0.056 0.068 0.048 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.00 0.01 0.00 -[31] 0.064 0.063 0.054 +[31] 0.065 0.063 0.054 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.055 0.066 0.052 +[31] 0.056 0.066 0.052 [84] Mean C-C su = 0.05 #CYCLENDS #SFLS @@ -5592,10 +5592,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.48E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.75E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.75E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.2 ENANTIO for 263 parameters @@ -5636,12 +5636,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.006 +[31] 0.006 0.005 0.007 [03] Reversals @@ -5686,147 +5686,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5910,10 +5910,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.57E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.92E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.92E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -5951,15 +5951,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -6004,147 +6004,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6228,10 +6228,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.54E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.86E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.86E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6272,12 +6272,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -6322,147 +6322,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.008 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6546,10 +6546,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.27E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.27E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.8E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6587,15 +6587,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -6640,147 +6640,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.009 +[31] 0.010 0.014 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -6798,34 +6798,34 @@ ___________ Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.0 Ul_13 = 0.0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-07 0E+00 3E-07 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 3E-07 0E+00 3E-07 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.0 Ul_13 = 0.0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-06 0E+00 8E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 8E-06 0E+00 8E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_13 = 0.0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.0 Ul_13 = 0.0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_13 = 0.0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.0 Ul_13 = 0.0 ___________ (1) NO ___________ @@ -6987,8 +6987,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3.35E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.2 E+00 -0.4 ENANTIO [14] S/ESD 168 168 -0.010 0.0E+00 0.53 E-02 -2.0 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.45 E-02 2.9 C 19 U[33] @@ -7034,12 +7034,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.016 +[31] 0.010 0.013 0.017 [03] Reversals @@ -7084,147 +7084,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7308,8 +7308,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -7347,15 +7347,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.004 0.006 [03] Reversals @@ -7400,147 +7400,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7624,8 +7624,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4.40E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -7663,15 +7663,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -7716,147 +7716,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7940,8 +7940,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.3E+01 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -7979,15 +7979,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -8032,147 +8032,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8256,8 +8256,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -8298,12 +8298,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8348,147 +8348,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -8506,14 +8506,14 @@ ___________ Atom C(7), basis: C(7),C(9) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 Atom C(9), basis: C(9),C(11) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 ___________ (1) NO ___________ @@ -8690,8 +8690,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.85E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.85E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 213 213 0.021 0.0E+00 0.64 E-03 32.9 C 24 U[11] [14] S/ESD 232 232 -0.022 0.0E+00 0.65 E-03 -34.8 C 26 U[22] @@ -8735,12 +8735,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.00 0.01 -[31] 0.012 0.016 0.015 +[31] 0.012 0.016 0.015 [03] Reversals @@ -8785,147 +8785,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.019 0.018 +[31] 0.019 0.020 0.018 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.03 -[31] 0.064 0.062 0.058 +[31] 0.064 0.062 0.059 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.025 0.026 0.033 +[31] 0.026 0.026 0.034 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.031 0.028 0.022 +[31] 0.032 0.029 0.023 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.031 0.024 +[31] 0.026 0.032 0.024 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.037 0.039 0.034 +[31] 0.038 0.040 0.035 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.037 0.037 +[31] 0.038 0.038 0.038 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.027 0.028 +[31] 0.028 0.028 0.029 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.039 0.041 +[31] 0.044 0.040 0.041 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.031 0.026 +[31] 0.027 0.031 0.026 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.039 0.039 0.039 +[31] 0.039 0.039 0.040 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.034 0.031 +[31] 0.032 0.034 0.032 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.040 0.035 +[31] 0.038 0.040 0.036 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.041 0.044 0.040 +[31] 0.042 0.044 0.041 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.030 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.040 +[31] 0.039 0.043 0.041 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.039 +[31] 0.039 0.043 0.039 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.048 0.044 +[31] 0.043 0.049 0.044 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.052 0.055 0.048 +[31] 0.052 0.056 0.049 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.050 0.055 0.047 +[31] 0.051 0.056 0.048 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.052 0.051 0.056 +[31] 0.053 0.051 0.057 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.044 0.045 +[31] 0.043 0.045 0.045 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.02 -[31] 0.049 0.071 0.044 +[31] 0.049 0.071 0.044 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.043 0.052 0.039 +[31] 0.044 0.052 0.040 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.044 0.048 0.047 +[31] 0.044 0.049 0.048 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.047 0.063 0.050 +[31] 0.047 0.063 0.051 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.060 0.043 +[31] 0.050 0.060 0.043 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.057 0.056 0.048 +[31] 0.058 0.057 0.048 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.059 0.046 +[31] 0.050 0.059 0.046 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -9009,8 +9009,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9051,12 +9051,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.006 [03] Reversals @@ -9101,147 +9101,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9325,8 +9325,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 0.6E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9364,15 +9364,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [03] Reversals @@ -9417,147 +9417,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9641,8 +9641,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.2E+02 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -9680,15 +9680,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.003 [03] Reversals @@ -9733,147 +9733,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9957,8 +9957,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.81E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.81E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -9996,15 +9996,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -10049,147 +10049,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -10208,28 +10208,28 @@ CONT C(26) TO C(27) TO C(28) Atom C(24), basis: C(24),C(25),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.0 U13_local - == 0 Atom C(25), basis: C(25),C(26),C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.0 U13_local - == 0 Atom C(26), basis: C(26),C(27),C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.0 U13_local - == 0 ___________ (1) NO ___________ @@ -10397,10 +10397,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.98E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.69E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.69E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 9 9 -0.012 0.0E+00 0.49 E-02 -2.5 CL 1 U[23] @@ -10442,12 +10442,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.011 0.012 0.018 +[31] 0.011 0.012 0.018 [03] Reversals @@ -10492,147 +10492,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.024 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.045 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -10716,10 +10716,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.4E+00 0.3 E+00 0.1 ENANTIO for 263 parameters @@ -10760,12 +10760,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -10810,147 +10810,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.017 0.017 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.007 0.007 0.009 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.006 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.007 0.009 0.007 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.012 0.011 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.013 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.013 0.016 0.014 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.013 0.013 0.015 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.012 +[31] 0.013 0.020 0.012 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.011 +[31] 0.012 0.014 0.011 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.012 0.013 0.013 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.013 +[31] 0.013 0.018 0.013 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.012 +[31] 0.014 0.016 0.012 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.012 +[31] 0.015 0.016 0.013 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.017 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11034,10 +11034,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.20E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.20E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.1E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -11078,12 +11078,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -11128,147 +11128,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.013 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.007 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.007 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.016 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.013 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11352,10 +11352,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.44E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.68E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.68E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.9E+01 0.6 E+00 0.0 ENANTIO [14] S/ESD 11 11 -0.012 -0.9E+01 0.41 E-02 -2.8 CL 1 U[12] @@ -11397,12 +11397,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.004 0.006 0.002 +[31] 0.005 0.006 0.003 [03] Reversals @@ -11447,147 +11447,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.031 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.012 0.012 0.016 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.015 0.014 0.011 +[31] 0.015 0.014 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.017 +[31] 0.019 0.020 0.017 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.020 0.020 0.018 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.020 0.020 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.017 0.015 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.021 0.021 0.019 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.021 0.020 +[31] 0.021 0.021 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.019 0.020 0.019 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.028 0.026 +[31] 0.024 0.029 0.026 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.026 0.023 +[31] 0.026 0.027 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.025 0.026 +[31] 0.025 0.025 0.026 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.023 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.023 0.036 0.022 +[31] 0.024 0.037 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.023 0.024 +[31] 0.023 0.024 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.024 +[31] 0.024 0.032 0.024 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.026 0.029 0.021 +[31] 0.026 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.029 0.023 +[31] 0.028 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -11671,10 +11671,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.74E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.4E+01 0.7 E+00 -0.0 ENANTIO for 263 parameters @@ -11712,15 +11712,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.004 [03] Reversals @@ -11765,147 +11765,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.010 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.035 0.033 0.032 +[31] 0.035 0.034 0.033 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.014 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.012 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.013 +[31] 0.014 0.017 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.020 0.021 0.019 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.020 +[31] 0.022 0.021 0.020 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.016 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.021 +[31] 0.023 0.022 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.015 0.017 0.014 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.022 +[31] 0.022 0.022 0.022 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.017 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.022 0.023 0.020 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.022 +[31] 0.022 0.022 0.022 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.022 0.024 0.022 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.023 0.026 0.024 +[31] 0.023 0.027 0.025 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.027 +[31] 0.026 0.031 0.028 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.028 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.027 0.027 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.023 0.025 +[31] 0.024 0.024 0.025 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.03 0.01 0.01 0.00 0.01 -[31] 0.026 0.039 0.024 +[31] 0.026 0.040 0.024 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.028 0.022 +[31] 0.024 0.029 0.022 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.026 +[31] 0.025 0.025 0.026 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.025 0.034 0.026 +[31] 0.025 0.035 0.027 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.031 0.023 +[31] 0.028 0.032 0.024 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.031 0.026 +[31] 0.030 0.032 0.026 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.033 0.026 +[31] 0.028 0.033 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SET MONITOR ON @@ -11929,14 +11929,14 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 ___________ (1) NO ___________ @@ -12110,8 +12110,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.13E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.13E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+01 -0.0 ENANTIO [14] S/ESD 6 6 -0.014 0.0E+00 0.22 E-02 -6.4 CL 1 U[11] [14] S/ESD 9 9 -0.026 0.0E+00 0.13 E-02 -19.7 CL 1 U[23] @@ -12160,12 +12160,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.04 0.06 0.02 0.04 0.01 -[31] 0.013 0.018 0.021 +[31] 0.014 0.018 0.022 [03] Reversals @@ -12210,147 +12210,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.063 0.058 +[31] 0.062 0.064 0.059 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.12 0.12 0.10 0.09 0.09 0.10 -[31] 0.207 0.201 0.190 +[31] 0.207 0.202 0.190 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.03 0.04 -0.06 -0.02 0.04 0.00 [37] 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.085 0.109 +[31] 0.084 0.085 0.110 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.08 0.06 0.04 0.04 0.05 0.06 -[31] 0.103 0.093 0.073 +[31] 0.104 0.093 0.074 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.03 0.04 -[31] 0.084 0.102 0.079 +[31] 0.084 0.102 0.079 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.122 0.128 0.113 +[31] 0.122 0.129 0.113 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.124 0.123 0.122 +[31] 0.125 0.123 0.123 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.092 0.090 0.093 +[31] 0.092 0.090 0.094 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.07 0.05 0.06 0.04 0.05 0.05 -[31] 0.142 0.129 0.134 +[31] 0.143 0.129 0.134 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.04 0.03 0.04 -[31] 0.087 0.102 0.084 +[31] 0.087 0.102 0.085 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.04 0.05 0.04 -[31] 0.127 0.128 0.129 +[31] 0.127 0.128 0.130 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.03 0.04 -[31] 0.102 0.110 0.102 +[31] 0.103 0.111 0.102 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.123 0.130 0.115 +[31] 0.123 0.131 0.115 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.135 0.144 0.132 +[31] 0.136 0.144 0.132 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.05 0.04 0.04 0.04 -[31] 0.096 0.095 0.096 +[31] 0.096 0.096 0.096 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.127 0.140 0.131 +[31] 0.127 0.140 0.132 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.05 0.04 0.05 -[31] 0.127 0.140 0.127 +[31] 0.128 0.140 0.127 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.07 0.06 0.05 0.06 -[31] 0.138 0.158 0.143 +[31] 0.139 0.158 0.143 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.09 0.09 0.07 0.07 0.06 0.07 -[31] 0.170 0.181 0.158 +[31] 0.171 0.181 0.158 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.07 -[31] 0.164 0.181 0.154 +[31] 0.164 0.181 0.155 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.09 0.10 0.07 0.07 0.07 -[31] 0.171 0.166 0.184 +[31] 0.172 0.166 0.184 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.07 0.06 0.05 0.05 -[31] 0.138 0.145 0.146 +[31] 0.138 0.145 0.147 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.01 0.02 0.01 0.08 0.17 0.06 0.08 0.05 0.09 -[31] 0.159 0.232 0.144 +[31] 0.160 0.232 0.145 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.10 0.06 0.06 0.05 0.06 -[31] 0.141 0.169 0.129 +[31] 0.142 0.170 0.130 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.08 0.07 0.06 0.06 -[31] 0.144 0.159 0.155 +[31] 0.144 0.159 0.156 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.11 0.09 0.09 0.06 0.08 -[31] 0.153 0.206 0.165 +[31] 0.154 0.207 0.165 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.11 0.06 0.07 0.05 0.08 -[31] 0.161 0.196 0.140 +[31] 0.162 0.196 0.140 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.10 0.09 0.07 0.07 0.07 0.08 -[31] 0.187 0.183 0.156 +[31] 0.188 0.184 0.157 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.08 -[31] 0.161 0.191 0.150 +[31] 0.162 0.192 0.151 [84] Mean C-C su = 0.15 #CYCLENDS #SFLS @@ -12434,8 +12434,8 @@ LS-scale= 0.447 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -12476,12 +12476,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.010 0.007 0.006 [03] Reversals @@ -12526,147 +12526,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.014 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12750,8 +12750,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -12792,12 +12792,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -12842,147 +12842,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13066,8 +13066,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.8E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -13105,15 +13105,15 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -13158,147 +13158,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13382,8 +13382,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -13424,12 +13424,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.001 0.004 [03] Reversals @@ -13474,147 +13474,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -13638,20 +13638,20 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 -5E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 -5E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 -2E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 -2E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 ___________ (1) NO ___________ @@ -13809,8 +13809,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.06E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.06E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.014 0.0E+00 0.84 E-02 1.7 CL 1 U[11] [14] S/ESD 7 7 0.019 0.0E+00 0.69 E-02 2.8 CL 1 U[22] @@ -13856,12 +13856,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.013 0.017 0.019 +[31] 0.014 0.017 0.020 [03] Reversals @@ -13906,147 +13906,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.025 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.046 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -14130,8 +14130,8 @@ LS-scale= 0.444 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.1E+01 0.2 E+00 0.6 ENANTIO for 263 parameters @@ -14172,12 +14172,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.010 0.006 [03] Reversals @@ -14222,147 +14222,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14446,8 +14446,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.80E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.1E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -14485,15 +14485,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -14538,147 +14538,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14762,8 +14762,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.73E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.73E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -14801,15 +14801,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -14854,147 +14854,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.013 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15078,8 +15078,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -15120,12 +15120,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -15170,147 +15170,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -15328,10 +15328,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 1.0 U_geom = _geom Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 1E-04 1.0 U_geom = _geom ___________ (1) NO ___________ @@ -15489,8 +15489,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.07E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 S/ESD 1 1 0.012 0.0E+00 0.691E-02 1.73 SCALE [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.024 0.0E+00 0.95 E-02 2.5 CL 1 U[11] @@ -15538,12 +15538,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.04 0.01 0.01 0.01 -[31] 0.014 0.018 0.018 +[31] 0.014 0.019 0.018 [03] Reversals @@ -15588,147 +15588,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.018 0.018 0.017 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.058 0.054 +[31] 0.060 0.058 0.055 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 -0.04 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.031 +[31] 0.024 0.025 0.032 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.026 0.021 +[31] 0.030 0.027 0.021 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.029 0.022 +[31] 0.024 0.029 0.023 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.032 +[31] 0.035 0.037 0.033 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.035 0.035 +[31] 0.036 0.035 0.035 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.026 0.027 +[31] 0.026 0.026 0.027 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.041 0.037 0.038 +[31] 0.041 0.037 0.039 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.024 +[31] 0.025 0.029 0.024 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.036 0.037 +[31] 0.037 0.037 0.037 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.029 +[31] 0.029 0.032 0.029 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.033 +[31] 0.035 0.037 0.033 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.041 0.038 +[31] 0.039 0.041 0.038 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.027 0.027 +[31] 0.028 0.028 0.028 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.037 +[31] 0.036 0.040 0.038 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.036 +[31] 0.037 0.040 0.036 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.045 0.041 +[31] 0.040 0.046 0.041 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.045 +[31] 0.049 0.052 0.045 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.052 0.044 +[31] 0.047 0.052 0.044 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.047 0.053 +[31] 0.049 0.048 0.053 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.041 0.042 +[31] 0.040 0.042 0.042 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.045 0.066 0.041 +[31] 0.046 0.067 0.042 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.048 0.037 +[31] 0.041 0.049 0.037 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.041 0.045 0.044 +[31] 0.042 0.046 0.045 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.044 0.059 0.047 +[31] 0.044 0.059 0.048 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.02 0.01 0.02 -[31] 0.046 0.056 0.040 +[31] 0.046 0.056 0.040 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.02 0.02 0.02 -[31] 0.054 0.052 0.045 +[31] 0.054 0.053 0.045 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.046 0.055 0.043 +[31] 0.046 0.055 0.043 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -15812,8 +15812,8 @@ LS-scale= 0.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.77E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.77E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.7E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -15854,12 +15854,12 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.005 +[31] 0.007 0.008 0.005 [03] Reversals @@ -15904,147 +15904,147 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16128,8 +16128,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -16167,15 +16167,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -16220,147 +16220,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16444,8 +16444,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16483,15 +16483,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16536,147 +16536,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16760,8 +16760,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16802,12 +16802,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16852,147 +16852,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -17010,10 +17010,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 1.0 U_eq = _eq Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 1E-04 1.0 U_eq = _eq ___________ (1) NO ___________ @@ -17218,8 +17218,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.12 E-01 1.0 C 19 U[33] @@ -17261,12 +17261,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.009 0.012 0.017 +[31] 0.010 0.013 0.017 [03] Reversals @@ -17311,147 +17311,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.030 +[31] 0.033 0.032 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.011 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.013 0.016 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.020 0.020 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.015 0.015 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.021 +[31] 0.023 0.021 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.023 0.021 +[31] 0.022 0.023 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.022 0.025 0.022 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.027 0.029 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.029 0.024 +[31] 0.026 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.028 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.023 0.023 +[31] 0.022 0.023 0.024 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.025 0.037 0.023 +[31] 0.025 0.037 0.023 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.024 +[31] 0.023 0.025 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.032 0.026 +[31] 0.025 0.033 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.031 0.022 +[31] 0.026 0.031 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.025 +[31] 0.030 0.029 0.025 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -17535,8 +17535,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -17574,15 +17574,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.005 0.004 0.005 [03] Reversals @@ -17627,147 +17627,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17851,8 +17851,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.4E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -17893,12 +17893,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.002 0.002 0.004 [03] Reversals @@ -17943,147 +17943,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18167,8 +18167,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18206,15 +18206,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [03] Reversals @@ -18259,147 +18259,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18483,8 +18483,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -18525,12 +18525,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.001 0.003 [03] Reversals @@ -18575,147 +18575,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18799,8 +18799,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18838,15 +18838,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -18891,147 +18891,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19115,8 +19115,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19157,12 +19157,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -19207,147 +19207,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19431,8 +19431,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -19470,15 +19470,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19523,147 +19523,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19747,8 +19747,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19789,12 +19789,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19839,147 +19839,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20063,8 +20063,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.2E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -20102,15 +20102,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -20155,147 +20155,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -20318,52 +20318,52 @@ T tensor: Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.0 U13 - Utls13 == 0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.0 U13 - Utls13 == 0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.0 U13 - Utls13 == 0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.0 U13 - Utls13 == 0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.0 U13 - Utls13 == 0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.0 U13 - Utls13 == 0 ___________ (1) NO ___________ diff --git a/test_suite/MIN64GH.org/shapering.out b/test_suite/MIN64GH.org/shapering.out index f0ac25f7b..f4e537359 100644 --- a/test_suite/MIN64GH.org/shapering.out +++ b/test_suite/MIN64GH.org/shapering.out @@ -37,7 +37,6 @@ Space group symbol is P 1 #LIST 3 #LIST 29 #LIST 5 -Bonds: Update required - There is no list 41 # #LIST 6 #LIST 28 @@ -57,6 +56,9 @@ Bonds: Update required - There is no list 41 #LIST 17 #LIST 23 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -222,8 +224,8 @@ LS-scale= 6.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.066 0.0E+00 0.124E-01 5.32 SCALE [14] S/ESD 29 29 0.011 0.0E+00 0.78 E-02 1.4 C 13 Z @@ -265,12 +267,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.021 0.052 +[31] 0.038 0.022 0.052 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.076 0.043 0.102 +[31] 0.077 0.043 0.102 [03] Reversals @@ -315,62 +317,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.046 0.037 0.046 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.045 0.037 0.045 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.45 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.068 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 15. 0.42 1.00 -0.27 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0680 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -459,8 +461,8 @@ LS-scale= 6.358 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.08E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.08E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -501,15 +503,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.014 +[31] 0.019 0.019 0.015 [03] Reversals @@ -554,62 +556,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0548 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0016 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -698,8 +700,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.02E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -743,12 +745,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.008 [03] Reversals @@ -793,62 +795,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -937,8 +939,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.00E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.00E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -995,15 +997,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.005 0.002 +[31] 0.003 0.005 0.002 [03] Reversals @@ -1048,62 +1050,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1213,10 +1215,10 @@ LS-scale= 5.759 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.49E-12 -[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2.49E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2E-12 [13] LARGE 1 1 0.6 0.0E+00 0.1 E-01 32.5 SCALE [14] S/ESD 2 2 0.409 0.0E+00 0.60 E-01 6.7 C 1 OCC Composite @@ -1402,15 +1404,15 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [38] Mean 0.61 0.31 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.027 0.025 +[31] 0.032 0.028 0.026 [71] R.M.S. 0. 0.33 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.227 0.146 0.133 +[31] 0.227 0.147 0.134 [70] Maximum 0. 0.40 0.04 0.03 0.02 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.410 0.262 0.295 +[31] 0.410 0.262 0.295 [03] Reversals @@ -1455,62 +1457,62 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [37] C 1. 0.93 1.00 -0.13 -0.10 -0.29 0.10 [73] 0.40 -0.01 0.00 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 2. 0.93 1.00 -0.11 -0.20 -0.18 0.10 [73] 0.40 -0.00 0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.074 [37] C 3. 0.93 1.00 -0.19 -0.20 -0.10 0.10 [73] 0.40 -0.02 -0.02 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.075 +[31] 0.074 0.057 0.076 [37] C 4. 0.93 1.00 -0.26 -0.05 -0.17 0.10 [73] 0.40 -0.01 0.00 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.072 0.059 0.073 +[31] 0.072 0.059 0.074 [37] C 5. 0.93 1.00 -0.21 -0.01 -0.28 0.10 [73] 0.40 0.01 -0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.074 0.059 0.072 [37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 [73] 0.22 0.03 0.00 -0.01 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.199 0.161 0.200 +[31] 0.199 0.162 0.200 [37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 [73] 0.22 0.01 0.01 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.196 0.160 0.191 +[31] 0.196 0.160 0.192 [37] C 13. 0.54 1.00 -0.18 -0.26 0.04 0.11 [73] 0.22 -0.00 0.02 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.202 0.162 0.196 +[31] 0.202 0.162 0.197 [37] C 14. 0.54 1.00 -0.34 0.00 -0.09 0.11 [73] 0.22 -0.02 -0.01 -0.03 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.204 0.159 0.203 +[31] 0.205 0.160 0.203 [37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 [73] 0.22 0.03 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.201 0.158 0.199 +[31] 0.201 0.158 0.200 [37] C 100. 0.30 4.00 -0.15 -0.09 -0.18 0.05 -2.0452 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.30 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [37] C 200. 2.26 4.00 -0.15 -0.09 -0.19 0.06 -1.1286 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.23 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [84] Mean C-C su = 0.10 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1599,8 +1601,8 @@ LS-scale= 6.368 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.69E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.69E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.155 -0.4E+00 0.46 E-01 -3.3 C 1 OCC Composite @@ -1783,15 +1785,15 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [38] Mean 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.020 0.019 +[31] 0.024 0.020 0.019 [71] R.M.S. 0. 0.14 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.080 0.113 +[31] 0.084 0.080 0.114 [70] Maximum 0. 0.15 0.03 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.180 0.151 0.261 +[31] 0.181 0.151 0.261 [03] Reversals @@ -1836,62 +1838,62 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 0.78 1.00 -0.13 -0.10 -0.31 0.07 [73] -0.15 0.00 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 2. 0.78 1.00 -0.11 -0.21 -0.19 0.07 [73] -0.15 -0.00 -0.01 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.032 0.042 +[31] 0.044 0.033 0.043 [37] C 3. 0.78 1.00 -0.17 -0.18 -0.09 0.07 [73] -0.15 0.01 0.01 0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 4. 0.78 1.00 -0.25 -0.05 -0.17 0.07 [73] -0.15 0.00 -0.00 -0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.78 1.00 -0.22 0.00 -0.29 0.07 [73] -0.15 -0.01 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.034 0.041 +[31] 0.041 0.035 0.041 [37] C 11. 0.41 1.00 -0.07 -0.05 -0.44 0.10 [73] -0.13 0.00 0.00 0.02 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.070 0.056 0.069 [37] C 12. 0.41 1.00 0.00 -0.31 -0.14 0.10 [73] -0.13 0.00 -0.00 0.01 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.069 +[31] 0.071 0.058 0.070 [37] C 13. 0.41 1.00 -0.18 -0.25 0.04 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 14. 0.41 1.00 -0.33 0.00 -0.08 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.073 0.057 0.071 [37] C 15. 0.41 1.00 -0.24 0.15 -0.36 0.10 [73] -0.13 -0.00 0.01 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 100. 1.08 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.77 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.23 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.91 4.00 -0.17 -0.10 -0.20 0.05 [22] 0.65 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.15 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1980,8 +1982,8 @@ LS-scale= 6.366 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.97E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.97E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.226 0.1E+01 0.40 E-01 -5.5 C 1 OCC Composite @@ -2155,15 +2157,15 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [38] Mean 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.017 +[31] 0.021 0.018 0.017 [71] R.M.S. 0. 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.054 0.043 +[31] 0.072 0.054 0.044 [70] Maximum 0. 0.22 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.154 0.101 0.075 +[31] 0.155 0.102 0.075 [03] Reversals @@ -2208,62 +2210,62 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [37] C 1. 0.55 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.22 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 2. 0.55 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.22 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.033 +[31] 0.034 0.026 0.033 [37] C 3. 0.55 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.22 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.033 +[31] 0.033 0.026 0.033 [37] C 4. 0.55 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.22 0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 5. 0.55 1.00 -0.22 0.00 -0.29 0.06 [73] -0.22 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.03 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 [73] -0.03 0.00 0.01 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.076 +[31] 0.078 0.063 0.077 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.081 0.064 0.080 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.062 0.079 +[31] 0.080 0.063 0.079 [37] C 15. 0.38 1.00 -0.24 0.15 -0.36 0.09 [73] -0.03 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.079 +[31] 0.079 0.063 0.079 [37] C 100. 2.21 4.00 -0.17 -0.11 -0.20 0.03 [22] 1.13 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.20 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.15 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.13 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2352,8 +2354,8 @@ LS-scale= 6.361 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.039 0.2E+00 0.35 E-01 -1.0 C 1 OCC Composite @@ -2415,15 +2417,15 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [38] Mean 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.045 0.039 0.031 +[31] 0.046 0.039 0.032 [70] Maximum 0. 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.086 0.076 0.052 +[31] 0.086 0.076 0.053 [03] Reversals @@ -2468,62 +2470,62 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.042 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 4. 0.51 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.043 [37] C 5. 0.51 1.00 -0.21 0.00 -0.28 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.042 [37] C 11. 0.36 1.00 -0.08 -0.06 -0.45 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.36 1.00 0.01 -0.31 -0.14 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.36 1.00 -0.16 -0.25 0.05 0.09 [73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.062 0.077 [37] C 14. 0.36 1.00 -0.32 0.01 -0.07 0.09 [73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 15. 0.36 1.00 -0.25 0.14 -0.37 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.41 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.19 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.07 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2613,8 +2615,8 @@ LS-scale= 6.360 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.02E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.02E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2654,12 +2656,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.008 +[31] 0.012 0.014 0.009 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.031 0.019 +[31] 0.025 0.031 0.019 [03] Reversals @@ -2704,62 +2706,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.037 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.079 +[31] 0.081 0.065 0.080 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.079 0.064 0.078 [37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.082 0.065 0.080 [37] C 14. 0.37 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.063 0.080 +[31] 0.081 0.064 0.080 [37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.080 +[31] 0.081 0.064 0.080 [37] C 100. 2.50 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.09 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0466 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2848,8 +2850,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.93E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.93E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2893,12 +2895,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.009 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.026 0.015 +[31] 0.019 0.026 0.015 [03] Reversals @@ -2943,62 +2945,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.079 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.078 [37] C 100. 2.51 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 -0.0110 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3087,8 +3089,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -3148,12 +3150,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.004 +[31] 0.009 0.013 0.005 [03] Reversals @@ -3198,62 +3200,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.063 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.063 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0077 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3342,8 +3344,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.07E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.07E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3387,12 +3389,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.004 +[31] 0.007 0.010 0.004 [03] Reversals @@ -3437,62 +3439,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.076 +[31] 0.079 0.062 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.077 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0032 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3948,8 +3950,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.29E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.29E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3989,12 +3991,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.021 0.042 +[31] 0.032 0.022 0.043 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.056 0.038 0.082 +[31] 0.056 0.038 0.083 [03] Reversals @@ -4039,62 +4041,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.066 +[31] 0.068 0.054 0.066 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.068 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 100. 2.62 4.00 -0.17 -0.11 -0.20 0.03 -0.0594 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4183,8 +4185,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.12E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.12E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4225,15 +4227,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.006 +[31] 0.009 0.007 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.013 +[31] 0.019 0.014 0.013 [03] Reversals @@ -4278,62 +4280,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.071 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0517 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4422,8 +4424,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4464,15 +4466,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [03] Reversals @@ -4517,62 +4519,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4661,8 +4663,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4699,15 +4701,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -4752,62 +4754,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0043 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4917,8 +4919,8 @@ LS-scale= 6.870 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.30E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.30E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 S/ESD 1 1 -0.514 0.0E+00 0.171E-01 -30.07 SCALE [14] S/ESD 2 2 0.100 0.0E+00 0.36 E-01 2.7 C 1 OCC Composite @@ -5096,12 +5098,12 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.071 0.073 +[31] 0.062 0.071 0.073 [70] Maximum 0. 0.10 0.02 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.121 0.149 0.130 +[31] 0.121 0.149 0.130 [03] Reversals @@ -5146,62 +5148,62 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [37] C 1. 0.63 1.00 -0.14 -0.10 -0.30 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.046 [37] C 2. 0.63 1.00 -0.11 -0.20 -0.19 0.07 [73] 0.10 -0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.038 0.047 +[31] 0.047 0.039 0.047 [37] C 3. 0.63 1.00 -0.18 -0.19 -0.10 0.07 [73] 0.10 0.00 0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.046 +[31] 0.048 0.038 0.046 [37] C 4. 0.63 1.00 -0.25 -0.05 -0.16 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.046 +[31] 0.047 0.038 0.047 [37] C 5. 0.63 1.00 -0.22 -0.01 -0.28 0.07 [73] 0.10 -0.01 0.00 -0.01 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.048 +[31] 0.048 0.038 0.048 [37] C 11. 0.44 1.00 -0.11 -0.08 -0.46 0.09 [73] 0.06 -0.00 -0.01 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.070 0.088 +[31] 0.088 0.071 0.088 [37] C 12. 0.44 1.00 -0.02 -0.32 -0.16 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.088 0.070 0.086 +[31] 0.088 0.071 0.086 [37] C 13. 0.44 1.00 -0.19 -0.28 0.03 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.071 0.087 +[31] 0.088 0.071 0.087 [37] C 14. 0.44 1.00 -0.33 -0.01 -0.07 0.09 [73] 0.06 -0.00 -0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.070 0.089 +[31] 0.089 0.071 0.089 [37] C 15. 0.44 1.00 -0.28 0.12 -0.38 0.09 [73] 0.06 -0.00 0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.071 0.087 +[31] 0.089 0.071 0.087 [37] C 100. 1.81 4.00 -0.18 -0.12 -0.21 0.02 -0.5012 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [37] C 200. 2.79 4.00 -0.18 -0.12 -0.21 0.03 -0.3480 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.13 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5290,8 +5292,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.43E-04 +[80a] Block No 1. Single precision relative error: 1E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1E-04 [14] S/ESD 2 2 -0.112 -0.1E+01 0.34 E-01 -3.3 C 1 OCC Composite @@ -5446,12 +5448,12 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.027 0.039 +[31] 0.053 0.028 0.040 [70] Maximum 0. 0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.050 0.082 +[31] 0.079 0.051 0.083 [03] Reversals @@ -5496,62 +5498,62 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 0.52 1.00 -0.14 -0.10 -0.30 0.06 [73] -0.11 0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.52 1.00 -0.12 -0.20 -0.19 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 3. 0.52 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 4. 0.52 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.52 1.00 -0.22 -0.01 -0.28 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.11 -0.08 -0.46 0.10 [73] -0.01 0.00 0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.065 +[31] 0.066 0.053 0.066 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.17 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.064 +[31] 0.065 0.052 0.064 [37] C 13. 0.42 1.00 -0.20 -0.28 0.02 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.053 0.065 +[31] 0.066 0.053 0.065 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.066 +[31] 0.067 0.053 0.066 [37] C 15. 0.42 1.00 -0.27 0.11 -0.38 0.10 [73] -0.01 0.00 -0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.065 +[31] 0.066 0.052 0.065 [37] C 100. 2.37 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.56 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.20 0.05 [22] 0.06 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5640,8 +5642,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.90E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 7.90E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 [14] S/ESD 2 2 -0.070 0.6E+00 0.37 E-01 -1.9 C 1 OCC Composite @@ -5719,15 +5721,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.021 +[31] 0.019 0.017 0.021 [70] Maximum 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.030 0.044 +[31] 0.033 0.030 0.045 [03] Reversals @@ -5772,62 +5774,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.45 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.45 1.00 -0.12 -0.20 -0.20 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.035 0.044 +[31] 0.046 0.035 0.045 [37] C 3. 0.45 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.045 [37] C 4. 0.45 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.07 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.45 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.41 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.073 0.059 0.072 [37] C 12. 0.41 1.00 -0.02 -0.33 -0.16 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.072 0.058 0.071 [37] C 13. 0.41 1.00 -0.20 -0.28 0.03 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.071 +[31] 0.072 0.059 0.072 [37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.072 +[31] 0.074 0.058 0.073 [37] C 15. 0.41 1.00 -0.27 0.12 -0.38 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.057 0.071 +[31] 0.073 0.058 0.072 [37] C 100. 2.73 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.35 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.91 4.00 -0.17 -0.11 -0.20 0.04 [22] 0.04 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5916,8 +5918,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.32E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.32E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -5958,15 +5960,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.010 +[31] 0.007 0.005 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.010 0.028 +[31] 0.019 0.010 0.028 [03] Reversals @@ -6011,62 +6013,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.074 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.074 0.059 0.072 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.059 0.073 [37] C 100. 2.75 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0109 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6156,8 +6158,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.31E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.31E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6194,15 +6196,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.003 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.014 +[31] 0.007 0.004 0.014 [03] Reversals @@ -6247,62 +6249,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0039 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6391,8 +6393,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.30E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6429,15 +6431,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.008 +[31] 0.005 0.001 0.008 [03] Reversals @@ -6482,62 +6484,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.046 +[31] 0.047 0.037 0.046 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.072 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6739,7 +6741,7 @@ All cycle Rw 0.0 10. 0.10E+03 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 24 serial number 26 Address 227498 Length 90 Created on + Print list type 24 serial number 26 Address 224654 Length 90 Created on @@ -6993,8 +6995,8 @@ LS-scale= 6.354 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.01E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.01E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 -0.224 0.0E+00 0.151E+00 -1.49 SCALE [14] S/ESD 29 29 0.010 0.0E+00 0.75 E-02 1.4 C 13 Z @@ -7036,12 +7038,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.025 0.048 +[31] 0.038 0.025 0.048 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.064 0.047 0.093 +[31] 0.064 0.048 0.094 [03] Reversals @@ -7086,62 +7088,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.45 0.10 [73] -0.01 0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.065 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.064 +[31] 0.066 0.053 0.064 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.066 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.066 +[31] 0.068 0.053 0.066 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.052 0.066 +[31] 0.068 0.053 0.066 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0165 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7230,8 +7232,8 @@ LS-scale= 6.337 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.84E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.84E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7308,15 +7310,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.008 +[31] 0.010 0.006 0.008 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.016 [03] Reversals @@ -7361,62 +7363,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0659 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7505,8 +7507,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.76E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.76E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -7550,12 +7552,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.005 0.008 [03] Reversals @@ -7600,62 +7602,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7744,8 +7746,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.73E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.73E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7802,15 +7804,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [03] Reversals @@ -7855,62 +7857,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.59 4.00 -0.17 -0.11 -0.20 0.03 -0.0057 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7920,7 +7922,7 @@ All cycle Rw 0.0 19. 0.10E+03 [24] F 5. 0.073 0.273 0.509 0.285 0.216 1.904 Might be split [24] F 6. 0.074 0.281 0.754 0.370 0.251 2.854 Might be split #CYCLENDS -#USE SHAPERING3.IN +#USE SHAPERING1.IN # # PUNCHED ON AT # @@ -7940,9 +7942,6 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. 3 Symmetry restraints written to LIST 17 #LIST 17 #REFINE 1 - Atom C 100 has U-iso too small, -0.0018 - 1 temperature factors less than the lowest allowed value of 0.00000 - The minimum value was -0.00183 Initialising Special positions @@ -7954,30 +7953,30 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. h k l Fo Fc -[61] 1. 1. 0. 60. 76. -[61] 4. 1. 0. 19. 14. -[61] -11. 2. 0. 1. 3. -[61] 10. 2. 0. 4. 5. -[61] 10. 3. 0. 2. 3. -[61] -5. 4. 0. 18. 14. -[61] -6. 6. 0. 8. 4. -[61] 0. 6. 0. 16. 10. +[61] 1. 1. 0. 65. 80. +[61] 4. 1. 0. 20. 14. +[61] 6. 1. 0. 17. 13. +[61] -11. 2. 0. 1. 2. +[61] 2. 2. 0. 34. 23. +[61] 3. 2. 0. 30. 20. +[61] 8. 2. 0. 10. 8. +[61] -3. 3. 0. 16. 10. +[61] -2. 3. 0. 36. 27. +[61] -1. 3. 0. 36. 27. +[61] 3. 3. 0. 11. 6. +[61] 6. 3. 0. 18. 12. +[61] -6. 4. 0. 18. 13. +[61] -5. 4. 0. 20. 12. +[61] 0. 4. 0. 23. 18. +[61] 6. 4. 0. 7. 5. +[61] -7. 5. 0. 11. 8. +[61] 6. 5. 0. 13. 10. +[61] -6. 6. 0. 8. 5. +[61] -1. 6. 0. 18. 11. [61] 5. 6. 0. 9. 7. -[61] 8. 6. 0. 5. 7. -[61] 0. 7. 0. 19. 14. -[61] 1. 7. 0. 12. 8. -[61] 2. 7. 0. 9. 11. -[61] 7. 7. 0. 4. 5. -[61] 4. 8. 0. 7. 6. -[61] 6. 8. 0. 5. 6. -[61] 2. 10. 0. 2. 3. -[61] 3. 10. 0. 2. 4. -[61] 2. 11. 0. 4. 5. -[61] -4. -10. 1. 5. 7. -[61] -3. -10. 1. 3. 5. -[61] -4. -9. 1. 5. 7. -[61] -8. -7. 1. 3. 5. -[61] 0. -7. 1. 4. 2. +[61] -4. 7. 0. 15. 11. +[61] -5. 9. 0. 7. 5. +[61] 2. 10. 0. 2. 2. And so on ------------ @@ -7986,22 +7985,22 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 10. 23. ************ +[62] 13. 27. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 34000 32000 3400 On scale of /FC/ +[33] 36000 32000 4900 On scale of /FC/ -[32] 211780 202020 21560 0.33 E+06 On scale of /FO/ +[32] 211780 186550 28630 0.45 E+06 On scale of /FO/ - New scale factor (G) is 6.196, 2803 reflections used in refinement + New scale factor (G) is 5.759, 2803 reflections used in refinement Structure factor least squares calculation 6 ends 2 -[29] SumFo/SumFc= 6.49 SumFoFc/SumFc^2= 6.32 SumwFoFc/SumwFc^2= 6.40 -LS-scale= 6.196 Wilson Scale= 0.000 -[27] - = 0.5 100*(-)/ = 4. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 5.759 Wilson Scale= 0.000 +[27] - = 1.5 100*(-)/ = 11. #DORESTRAIN #LIST 26 #DORESTRAIN @@ -8023,10 +8022,36 @@ LS-scale= 6.196 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 6.35E-05 -[13] LARGE 1 1 1.6 0.0E+00 0.1 E+00 8.6 SCALE -[14] S/ESD 2 2 0.303 0.0E+00 0.24 E-01 12.4 C 1 OCC +[80a] Block No 1. Single precision relative error: 1E-03 +Insufficient precision - trying double +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 3E-12 +[13] LARGE 1 1 7.1 0.0E+00 0.2 E+00 32.3 SCALE +[14] S/ESD 2 2 0.426 0.0E+00 0.62 E-01 6.8 C 1 OCC + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + +[14] S/ESD 3 3 -0.011 0.0E+00 0.69 E-02 -1.6 C 1 X +[14] S/ESD 4 4 0.011 0.0E+00 0.65 E-02 1.6 C 1 Y +[14] S/ESD 5 5 0.020 0.0E+00 0.85 E-02 2.3 C 1 Z +[14] S/ESD 6 6 0.047 0.0E+00 0.98 E-02 4.8 C 1 U[ISO] Composite Composite @@ -8043,13 +8068,19 @@ Block No 1. Single precision relative error: 6.35E-05 Composite +[14] S/ESD 8 8 0.017 0.0E+00 0.63 E-02 2.8 C 2 Y +[14] S/ESD 9 9 0.016 0.0E+00 0.86 E-02 1.9 C 2 Z +[14] S/ESD 10 10 -0.018 0.0E+00 0.69 E-02 -2.6 C 3 X +[14a] LARGE 11 11 -0.029 0.0E+00 0.62 E-02 -4.7 C 3 Y +[14] S/ESD 12 12 0.011 0.0E+00 0.89 E-02 1.3 C 3 Z +[14] S/ESD 13 13 -0.013 0.0E+00 0.67 E-02 -1.9 C 4 X +[14] S/ESD 17 17 -0.013 0.0E+00 0.64 E-02 -2.0 C 5 Y +[14] S/ESD 18 18 0.015 0.0E+00 0.85 E-02 1.8 C 5 Z +[14] S/ESD 19 19 0.222 0.0E+00 0.47 E-01 4.6 C 11 OCC Composite Composite -[14] S/ESD 4 4 -0.013 0.0E+00 0.35 E-02 -3.7 C 1 Y -[14] S/ESD 5 5 -0.016 0.0E+00 0.47 E-02 -3.5 C 1 Z -[14] S/ESD 6 6 0.038 0.0E+00 0.39 E-02 9.6 C 1 U[ISO] Composite Composite @@ -8066,9 +8097,8 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 11 11 0.010 0.0E+00 0.35 E-02 2.9 C 3 Y -[14] S/ESD 15 15 0.011 0.0E+00 0.47 E-02 2.4 C 4 Z -[14] S/ESD 22 22 -0.010 0.0E+00 0.56 E-02 -1.8 C 11 Z +[14a] LARGE 20 20 0.040 0.0E+00 0.18 E-01 2.1 C 11 X +[14] S/ESD 23 23 -0.017 0.0E+00 0.22 E-02 -7.7 C 11 U[ISO] Composite Composite @@ -8141,22 +8171,23 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 24 24 -0.013 0.0E+00 0.44 E-02 -3.1 C 12 X -[14] S/ESD 28 28 -0.012 0.0E+00 0.42 E-02 -2.8 C 13 Y -[14] S/ESD 33 33 -0.014 0.0E+00 0.45 E-02 -3.2 C 15 X -[14] S/ESD 34 34 -0.010 0.0E+00 0.42 E-02 -2.4 C 15 Y -[14] S/ESD 35 35 -0.010 0.0E+00 0.56 E-02 -1.9 C 15 Z +[14] S/ESD 24 24 0.020 0.0E+00 0.18 E-01 1.1 C 12 X +[14] S/ESD 25 25 0.019 0.0E+00 0.17 E-01 1.0 C 12 Y +[14a] LARGE 28 28 0.031 0.0E+00 0.17 E-01 1.7 C 13 Y +[14a] LARGE 30 30 -0.024 0.0E+00 0.19 E-01 -1.2 C 14 X +[14a] LARGE 32 32 -0.039 0.0E+00 0.23 E-01 -1.6 C 14 Z +[14a] LARGE 33 33 0.037 0.0E+00 0.18 E-01 1.9 C 15 X for 35 parameters -[64] The rms (shift/su) = 3. +[64] The rms (shift/su) = 6. [64] The mean abs(shift/su) = 2. - The largest (shift/esd) = 12.43, for Parameter 2, C1OCC + The largest (shift/esd) = 32.33, for Parameter 1, SCALE Min Actual Max -All cycle R-factor 0.0 10. 0.10E+03 -All cycle Rw 0.0 24. 0.10E+03 +All cycle R-factor 0.0 14. 0.10E+03 +All cycle Rw 0.0 28. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.33E+06 0.10E+16 +All cycle Min function 0.0 0.45E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -8167,8 +8198,8 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.33E+06 0.0E+00 0.33E+06 -[45] Hamilton weighted R-value 23. 0.00 23. +[30] Minimisation function 0.45E+06 0.0E+00 0.45E+06 +[45] Hamilton weighted R-value 27. 0.00 27. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8181,16 +8212,16 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 1.62 0.15 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 -0.01 -0.01 +[38] Mean 7.10 0.32 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.032 0.030 -[71] R.M.S. 1. 0.21 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.087 0.072 0.079 +[71] R.M.S. 7. 0.34 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.242 0.164 0.152 -[70] Maximum 1. 0.30 0.03 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.161 0.123 0.147 +[70] Maximum 7. 0.42 0.04 0.04 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.443 0.294 0.344 [03] Reversals @@ -8221,9 +8252,9 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 -[41] 0.13 0.00 0.00 -[41] 0.09 0.00 0.00 +[41] 6.34 0.05 0.05 +[41] 0.58 0.00 0.00 +[41] 0.11 0.00 0.00 @@ -8232,66 +8263,66 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.91 1.00 -0.14 -0.10 -0.31 0.09 -[73] 0.30 -0.00 -0.01 -0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 2. 0.91 1.00 -0.11 -0.21 -0.18 0.09 -[73] 0.30 -0.00 0.00 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 3. 0.91 1.00 -0.17 -0.19 -0.09 0.09 -[73] 0.30 0.00 0.01 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.041 +[37] C 1. 0.95 1.00 -0.13 -0.10 -0.29 0.11 +[73] 0.42 -0.01 0.01 0.02 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.061 0.075 -[37] C 4. 0.91 1.00 -0.25 -0.06 -0.16 0.09 -[73] 0.30 0.00 0.00 0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 2. 0.95 1.00 -0.11 -0.19 -0.18 0.11 +[73] 0.42 -0.00 0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.076 -[37] C 5. 0.91 1.00 -0.22 -0.01 -0.28 0.09 -[73] 0.30 0.00 0.00 0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 3. 0.95 1.00 -0.19 -0.20 -0.09 0.11 +[73] 0.42 -0.01 -0.02 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.078 -[37] C 11. 0.56 1.00 -0.10 -0.08 -0.44 0.07 -[73] 0.01 -0.00 -0.00 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 4. 0.95 1.00 -0.26 -0.05 -0.17 0.11 +[73] 0.42 -0.01 0.00 0.00 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.075 0.061 0.075 -[37] C 12. 0.56 1.00 -0.01 -0.33 -0.14 0.07 -[73] 0.01 -0.01 0.00 -0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.049 0.039 0.048 +[37] C 5. 0.95 1.00 -0.21 -0.01 -0.28 0.11 +[73] 0.42 0.00 -0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.076 0.061 0.074 -[37] C 13. 0.56 1.00 -0.18 -0.26 0.05 0.07 -[73] 0.01 -0.00 -0.01 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 +[73] 0.22 0.04 0.00 -0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.206 0.169 0.205 -[37] C 14. 0.56 1.00 -0.33 -0.01 -0.06 0.07 -[73] 0.01 -0.00 0.00 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 +[73] 0.22 0.02 0.01 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.203 0.167 0.195 -[37] C 15. 0.56 1.00 -0.27 0.13 -0.37 0.07 -[73] 0.01 -0.01 -0.01 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 13. 0.54 1.00 -0.18 -0.25 0.04 0.11 +[73] 0.22 -0.00 0.03 0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.209 0.168 0.200 -[37] C 100. 0.44 4.00 -0.20 -0.14 -0.22 0.00 - -1.5155 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 14. 0.54 1.00 -0.34 0.00 -0.10 0.11 +[73] 0.22 -0.02 -0.01 -0.03 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.212 0.167 0.207 -[37] C 200. 2.17 4.00 -0.20 -0.14 -0.23 0.02 - -0.0767 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.09 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 -[84] Mean C-C su = 0.03 +[37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 +[73] 0.22 0.03 0.00 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.207 0.163 0.203 + +[37] C 100. 0.22 4.00 -0.16 -0.09 -0.18 0.04 + -2.1337 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.31 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 + +[37] C 200. 2.28 4.00 -0.16 -0.10 -0.19 0.06 + -1.1126 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.23 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 +[84] Mean C-C su = 0.11 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8314,30 +8345,30 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 h k l Fo Fc -[61] 2. 10. 0. 2. 2. -[61] 3. 10. 0. 2. 4. -[61] -8. -7. 1. 3. 4. -[61] 0. -7. 1. 4. 3. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. +[61] 3. 10. 0. 2. 3. +[61] -3. -6. 1. 4. 6. [61] 10. -4. 1. 3. 5. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. -[61] 10. -1. 1. 2. 4. -[61] 4. 0. 1. 23. 16. +[61] 10. -1. 1. 2. 5. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. -[61] 2. 1. 1. 14. 19. -[61] 4. 2. 1. 17. 11. -[61] 2. 10. 1. 3. 4. -[61] -5. -5. 2. 4. 6. +[61] -5. -5. 2. 4. 7. [61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 3. -[61] 9. -3. 2. 3. 6. +[61] 9. -3. 2. 3. 5. [61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. +[61] 4. -1. 2. 7. 3. +[61] 9. -1. 2. 2. 4. +[61] 9. 0. 2. 2. 5. +[61] 5. 2. 2. 3. 6. +[61] 4. 4. 2. 6. 3. +[61] 3. -6. 3. 3. 1. +[61] 8. -4. 3. 3. 5. +[61] -2. -3. 3. 8. 12. +[61] 8. -3. 3. 3. 6. +[61] 8. -2. 3. 1. 3. +[61] 8. -1. 3. 1. 3. +[61] 8. 0. 3. 2. 3. And so on ------------ @@ -8346,7 +8377,7 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 8. 20. ************ +[62] 8. 21. ************ *** *** @@ -8354,14 +8385,14 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 [33] 33000 32000 2700 On scale of /FC/ -[32] 211780 205420 17410 0.25 E+06 On scale of /FO/ +[32] 211780 205850 17550 0.26 E+06 On scale of /FO/ - New scale factor (G) is 6.326, 2803 reflections used in refinement + New scale factor (G) is 6.346, 2803 reflections used in refinement Structure factor least squares calculation 7 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.47 -LS-scale= 6.326 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 6.346 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8379,9 +8410,9 @@ LS-scale= 6.326 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.88E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 5.88E-05 -[14] S/ESD 2 2 0.030 0.1E+00 0.24 E-01 1.2 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.229 -0.5E+00 0.45 E-01 -5.0 C 1 OCC Composite Composite @@ -8402,7 +8433,8 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 6 6 -0.015 -0.4E+00 0.36 E-02 -4.2 C 1 U[ISO] +[14] S/ESD 5 5 -0.015 -0.8E+00 0.45 E-02 -3.3 C 1 Z +[14] S/ESD 6 6 -0.039 -0.8E+00 0.46 E-02 -8.6 C 1 U[ISO] Composite Composite @@ -8419,7 +8451,13 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 19 19 -0.042 -0.3E+01 0.19 E-01 -2.2 C 11 OCC +[14] S/ESD 8 8 -0.014 -0.8E+00 0.34 E-02 -4.1 C 2 Y +[14] S/ESD 9 9 -0.014 -0.8E+00 0.47 E-02 -2.9 C 2 Z +[14] S/ESD 10 10 0.013 -0.7E+00 0.39 E-02 3.4 C 3 X +[14] S/ESD 11 11 0.014 -0.5E+00 0.36 E-02 3.9 C 3 Y +[14] S/ESD 16 16 -0.010 -0.1E+01 0.36 E-02 -2.8 C 5 X +[14] S/ESD 18 18 -0.013 -0.8E+00 0.46 E-02 -2.8 C 5 Z +[14] S/ESD 19 19 -0.142 -0.6E+00 0.29 E-01 -4.8 C 11 OCC Composite Composite @@ -8440,8 +8478,7 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 22 22 -0.010 0.1E+01 0.50 E-02 -2.1 C 11 Z -[14] S/ESD 23 23 0.013 0.2E+01 0.14 E-02 9.1 C 11 U[ISO] +[14a] LARGE 22 22 0.032 -0.2E+01 0.76 E-02 4.2 C 11 Z Composite Composite @@ -8514,19 +8551,23 @@ Block No 1. Single precision relative error: 5.88E-05 Composite +[14] S/ESD 26 26 0.014 0.5E+01 0.77 E-02 1.9 C 12 Z +[14] S/ESD 30 30 0.010 -0.4E+00 0.63 E-02 1.5 C 14 X +[14] S/ESD 32 32 0.012 -0.3E+00 0.78 E-02 1.6 C 14 Z +[14] S/ESD 34 34 0.010 0.4E+01 0.58 E-02 1.8 C 15 Y for 35 parameters [64] The rms (shift/su) = 2. [64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 9.1 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 8.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 8.2 0.10E+03 +All cycle R-factor 0.0 8.3 0.10E+03 All cycle Rw 0.0 21. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.25E+06 0.10E+16 -Inter cycle R-factor -5.0 2.0 0.10E+03 -Inter cycle Rw -5.0 3.1 0.10E+03 +All cycle Min function 0.0 0.26E+06 0.10E+16 +Inter cycle R-factor -5.0 5.2 0.10E+03 +Inter cycle Rw -5.0 6.8 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8539,8 +8580,8 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.25E+06 0.0E+00 0.25E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.26E+06 0.0E+00 0.26E+06 +[45] Hamilton weighted R-value 21. 0.00 21. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8553,16 +8594,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.02 -0.02 +[38] Mean -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.018 0.015 0.015 -[71] R.M.S. 0. 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.038 0.049 +[71] R.M.S. 0. 0.19 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.077 0.075 0.125 -[70] Maximum 0. 0.04 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.097 0.090 0.095 +[70] Maximum 0. 0.22 0.03 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.150 0.135 0.282 [03] Reversals @@ -8593,7 +8634,7 @@ Inter cycle Rw -5.0 3.1 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 +[41] 6.34 0.05 0.05 [41] -0.00 0.00 0.00 [41] 0.08 0.00 0.00 @@ -8604,66 +8645,66 @@ Inter cycle Rw -5.0 3.1 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.94 1.00 -0.13 -0.10 -0.30 0.07 -[73] 0.03 0.00 -0.00 0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.034 +[37] C 1. 0.72 1.00 -0.13 -0.10 -0.31 0.07 +[73] -0.22 -0.00 -0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.042 0.033 0.040 -[37] C 2. 0.94 1.00 -0.11 -0.21 -0.19 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.029 0.035 +[37] C 2. 0.72 1.00 -0.11 -0.21 -0.19 0.07 +[73] -0.22 -0.00 -0.01 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.032 0.041 -[37] C 3. 0.94 1.00 -0.18 -0.20 -0.09 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.037 0.029 0.035 +[37] C 3. 0.72 1.00 -0.18 -0.19 -0.10 0.07 +[73] -0.22 0.01 0.01 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.034 0.041 + +[37] C 4. 0.72 1.00 -0.25 -0.05 -0.17 0.07 +[73] -0.22 0.00 -0.00 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.033 0.041 + +[37] C 5. 0.72 1.00 -0.22 0.00 -0.29 0.07 +[73] -0.22 -0.01 0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.034 0.040 -[37] C 4. 0.94 1.00 -0.25 -0.06 -0.16 0.07 -[73] 0.03 -0.00 0.00 0.00 -0.01 +[37] C 11. 0.40 1.00 -0.07 -0.06 -0.43 0.10 +[73] -0.14 0.00 0.00 0.03 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.035 +[31] 0.068 0.054 0.067 -[37] C 5. 0.94 1.00 -0.22 -0.01 -0.29 0.07 -[73] 0.03 -0.00 0.00 -0.00 -0.01 +[37] C 12. 0.40 1.00 0.00 -0.31 -0.14 0.10 +[73] -0.14 0.00 -0.00 0.01 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.036 0.028 0.035 +[31] 0.069 0.056 0.067 -[37] C 11. 0.52 1.00 -0.11 -0.09 -0.45 0.08 -[73] -0.04 -0.00 -0.00 -0.01 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 13. 0.40 1.00 -0.18 -0.25 0.04 0.10 +[73] -0.14 -0.00 -0.00 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.072 0.057 0.069 -[37] C 12. 0.52 1.00 -0.01 -0.33 -0.15 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[37] C 14. 0.40 1.00 -0.33 0.00 -0.08 0.10 +[73] -0.14 0.01 0.00 0.01 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.054 0.068 -[37] C 13. 0.52 1.00 -0.18 -0.27 0.05 0.08 -[73] -0.04 -0.00 -0.00 0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 15. 0.40 1.00 -0.24 0.15 -0.36 0.10 +[73] -0.14 -0.00 0.01 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.055 0.068 -[37] C 14. 0.52 1.00 -0.33 -0.01 -0.06 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[37] C 100. 1.36 4.00 -0.16 -0.10 -0.19 0.04 +[22] 1.14 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.22 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 -[37] C 15. 0.52 1.00 -0.27 0.12 -0.38 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 - -[37] C 100. 0.29 4.00 -0.18 -0.12 -0.21 0.02 - -0.1516 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.12 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 - -[37] C 200. 2.38 4.00 -0.19 -0.12 -0.22 0.03 -[22] 0.21 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.09 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 -[84] Mean C-C su = 0.03 +[37] C 200. 2.99 4.00 -0.17 -0.10 -0.20 0.05 +[22] 0.71 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.14 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8686,18 +8727,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 h k l Fo Fc +[61] 1. 1. 0. 59. 77. [61] -11. 2. 0. 1. 3. -[61] -6. 6. 0. 8. 6. -[61] 0. 6. 0. 16. 12. -[61] 1. 7. 0. 11. 8. -[61] 3. 10. 0. 2. 3. +[61] -6. 6. 0. 8. 5. [61] -2. -11. 1. 5. 6. [61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. [61] -7. -5. 1. 8. 6. -[61] -6. -5. 1. 7. 5. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. @@ -8706,10 +8741,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [61] 10. -2. 1. 2. 4. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. -[61] 4. 0. 1. 23. 16. +[61] 4. 0. 1. 23. 17. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. +[61] 0. 5. 1. 7. 5. +[61] -8. -7. 2. 2. 3. +[61] -5. -5. 2. 4. 6. +[61] -8. -4. 2. 10. 7. +[61] 9. -4. 2. 2. 4. +[61] -2. -3. 2. 15. 20. +[61] 5. -3. 2. 5. 3. +[61] 9. -3. 2. 3. 5. And so on ------------ @@ -8718,22 +8759,22 @@ Inter cycle Rw -5.0 3.1 0.10E+03 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 7. 20. ************ +[62] 7. 19. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2600 On scale of /FC/ +[33] 33000 32000 2500 On scale of /FC/ -[32] 211780 205320 16930 0.23 E+06 On scale of /FO/ +[32] 211780 205760 16140 0.22 E+06 On scale of /FO/ - New scale factor (G) is 6.324, 2803 reflections used in refinement + New scale factor (G) is 6.344, 2803 reflections used in refinement Structure factor least squares calculation 8 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.48 -LS-scale= 6.324 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.344 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8751,30 +8792,9 @@ LS-scale= 6.324 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.59E-05 -[14] S/ESD 2 2 -0.276 -0.9E+01 0.31 E-01 -8.6 C 1 OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - -[14] S/ESD 19 19 -0.068 0.2E+01 0.23 E-01 -2.9 C 11 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.151 0.7E+00 0.39 E-01 -3.8 C 1 OCC Composite Composite @@ -8795,7 +8815,7 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 23 23 0.010 0.8E+00 0.17 E-02 6.1 C 11 U[ISO] +[14] S/ESD 23 23 -0.010 0.1E+01 0.15 E-02 -6.4 C 11 U[ISO] Composite Composite @@ -8868,23 +8888,20 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 27 27 -0.011 0.2E+02 0.49 E-02 -2.2 C 13 X -[14] S/ESD 28 28 -0.011 0.2E+01 0.45 E-02 -2.4 C 13 Y -[14] S/ESD 29 29 -0.010 -0.5E+01 0.60 E-02 -1.7 C 13 Z -[14] S/ESD 32 32 -0.010 0.3E+01 0.61 E-02 -1.7 C 14 Z +[14] S/ESD 27 27 0.013 -0.2E+02 0.74 E-02 1.7 C 13 X for 35 parameters -[64] The rms (shift/su) = 2. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 8.6 , for Parameter 2, C1OCC +[64] The rms (shift/su) = 1. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 6.4 , for Parameter 23, C11U[11] Min Actual Max -All cycle R-factor 0.0 8.0 0.10E+03 +All cycle R-factor 0.0 7.6 0.10E+03 All cycle Rw 0.0 20. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.24E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.2 0.1 E+03 -[26] Inter cycle Rw -5.0 0.6 0.1 E+03 +All cycle Min function 0.0 0.23E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.6 0.1 E+03 +Inter cycle Rw -5.0 1.5 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8897,8 +8914,8 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.23E+06 0.0E+00 0.23E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.22E+06 0.0E+00 0.22E+06 +[45] Hamilton weighted R-value 19. 0.00 19. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8911,16 +8928,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.15 -0.17 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.01 -0.01 +[38] Mean -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.018 -[71] R.M.S. 0. 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.061 0.058 +[71] R.M.S. 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.069 0.041 0.045 -[70] Maximum 0. 0.27 0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.106 0.091 +[70] Maximum 0. 0.15 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.147 0.066 0.079 [03] Reversals @@ -8952,7 +8969,7 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.01 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -8962,66 +8979,66 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.66 1.00 -0.13 -0.10 -0.30 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 1. 0.57 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 2. 0.66 1.00 -0.11 -0.20 -0.18 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 2. 0.57 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.15 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.036 0.028 0.035 -[37] C 3. 0.66 1.00 -0.17 -0.19 -0.09 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 3. 0.57 1.00 -0.18 -0.19 -0.10 0.06 +[73] -0.15 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.035 -[37] C 4. 0.66 1.00 -0.25 -0.06 -0.16 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 4. 0.57 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.034 0.028 0.034 -[37] C 5. 0.66 1.00 -0.22 -0.01 -0.28 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 5. 0.57 1.00 -0.22 0.00 -0.29 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 11. 0.45 1.00 -0.11 -0.09 -0.46 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 11. 0.38 1.00 -0.07 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.052 0.042 0.051 +[31] 0.079 0.064 0.078 -[37] C 12. 0.45 1.00 -0.02 -0.33 -0.16 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.079 0.064 0.077 -[37] C 13. 0.45 1.00 -0.19 -0.28 0.04 0.09 -[73] -0.06 -0.01 -0.01 -0.01 0.01 +[37] C 13. 0.38 1.00 -0.16 -0.24 0.05 0.09 +[73] -0.01 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.083 0.065 0.080 -[37] C 14. 0.45 1.00 -0.34 -0.02 -0.07 0.09 -[73] -0.06 -0.00 -0.00 -0.01 0.01 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.082 0.064 0.080 -[37] C 15. 0.45 1.00 -0.28 0.11 -0.38 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 +[73] -0.01 -0.00 0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.081 0.064 0.080 -[37] C 100. 1.67 4.00 -0.17 -0.11 -0.20 0.03 -[22] 1.38 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.15 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[37] C 100. 2.12 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.75 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.19 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 -[37] C 200. 2.73 4.00 -0.18 -0.11 -0.21 0.04 -[22] 0.34 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.11 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 -[84] Mean C-C su = 0.03 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.09 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.13 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -9044,30 +9061,30 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 h k l Fo Fc +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. +[61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] 6. 5. 1. 5. 4. +[61] -2. 1. 1. 62. 76. +[61] 1. 6. 1. 13. 10. [61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. -[61] 9. -3. 2. 3. 5. -[61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. -[61] 9. -1. 2. 2. 3. And so on ------------ @@ -9082,16 +9099,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2500 On scale of /FC/ +[33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205390 15850 0.21 E+06 On scale of /FO/ +[32] 211780 205530 15810 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.336, 2803 reflections used in refinement + New scale factor (G) is 6.338, 2803 reflections used in refinement Structure factor least squares calculation 9 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.336 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.338 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9109,17 +9126,9 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.40E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.40E-04 -[14] S/ESD 2 2 -0.192 0.7E+00 0.35 E-01 -5.3 C 1 OCC - Composite - - Composite - - Composite - - Composite - +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.063 0.4E+00 0.35 E-01 -1.8 C 1 OCC Composite Composite @@ -9132,7 +9141,6 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 6 6 -0.015 0.8E+01 0.37 E-02 -4.1 C 1 U[ISO] Composite Composite @@ -9149,7 +9157,6 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 19 19 -0.043 0.6E+00 0.24 E-01 -1.7 C 11 OCC Composite Composite @@ -9158,103 +9165,19 @@ Block No 1. Single precision relative error: 1.40E-04 Composite - Composite - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - - for 35 parameters -[64] The rms (shift/su) = 1. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 5.3 , for Parameter 2, C1OCC + for 35 parameters +[64] The rms (shift/su) = 0. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 1.8 , for Parameter 2, C1OCC Min Actual Max All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd All cycle Min function 0.0 0.22E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.5 0.1 E+03 -[26] Inter cycle Rw -5.0 0.7 0.1 E+03 +[26] Inter cycle R-factor -5.0 0.1 0.1 E+03 +[26] Inter cycle Rw -5.0 0.3 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -9281,16 +9204,16 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.04 -0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 0.00 0.00 +[38] Mean -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] -0.000 0.000 0.001 -[71] R.M.S. 0. 0.13 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.032 0.046 +[71] R.M.S. 0. 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.030 0.023 -[70] Maximum 0. 0.19 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.052 0.071 +[70] Maximum 0. 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.084 0.044 0.037 [03] Reversals @@ -9322,7 +9245,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9332,65 +9255,65 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.47 1.00 -0.14 -0.10 -0.30 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.037 +[31] 0.041 0.033 0.040 -[37] C 2. 0.47 1.00 -0.12 -0.21 -0.19 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 3. 0.47 1.00 -0.18 -0.19 -0.09 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 4. 0.51 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.052 0.064 +[31] 0.077 0.061 0.075 -[37] C 12. 0.40 1.00 -0.02 -0.33 -0.15 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.051 0.062 +[31] 0.075 0.061 0.074 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.04 -0.00 -0.00 -0.00 0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.063 +[31] 0.078 0.062 0.075 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.04 -0.00 0.00 -0.00 0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.064 +[31] 0.077 0.061 0.076 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.36 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.051 0.063 +[31] 0.077 0.061 0.076 -[37] C 100. 2.63 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.96 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.17 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 100. 2.44 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.31 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.05 -[22] 0.21 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.12 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 200. 3.14 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.05 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9415,30 +9338,30 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. +[61] -11. -2. 1. 2. 1. [61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. And so on ------------ @@ -9455,13 +9378,13 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205450 15700 0.21 E+06 On scale of /FO/ +[32] 211780 205500 15780 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.339, 2803 reflections used in refinement + New scale factor (G) is 6.337, 2803 reflections used in refinement Structure factor least squares calculation 10 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.339 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.337 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9480,91 +9403,19 @@ LS-scale= 6.339 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.75E-04 - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 1.0 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 0.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 +All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9589,16 +9440,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[38] Mean -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[89] 0.00 0.00 0.00 -[71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.016 +[71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.012 0.009 0.009 -[70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.027 0.030 +[70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.017 [03] Reversals @@ -9629,8 +9480,8 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] 6.33 0.05 0.05 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9640,65 +9491,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.02 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.01 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.44 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.49 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.01 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.043 -[37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.02 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 -[73] -0.02 -0.00 -0.00 0.00 -0.00 +[37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.079 0.063 0.077 -[37] C 12. 0.40 1.00 -0.01 -0.33 -0.15 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.071 +[31] 0.078 0.063 0.076 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.080 0.063 0.077 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.059 0.073 +[31] 0.079 0.062 0.078 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.079 0.063 0.078 -[37] C 100. 2.77 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.14 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.08 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.04 -[22] 0.00 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 + -0.0420 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9722,30 +9573,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 5. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -2. -11. 2. 3. 3. And so on ------------ @@ -9762,13 +9613,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 11 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9787,21 +9638,93 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.70E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.70E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.2 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.1 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-02 0.1 E+03 -[25] Inter cycle Rw -5.0 0. E-01 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-01 0.1 E+03 +[25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -9828,16 +9751,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.005 0.005 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.011 +[31] 0.010 0.011 0.007 [03] Reversals @@ -9868,7 +9791,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9879,65 +9802,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.077 0.062 0.076 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 -0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.074 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.078 0.062 0.076 -[37] C 14. 0.41 1.00 -0.34 -0.02 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.078 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.078 0.061 0.076 -[37] C 100. 2.81 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.04 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.02 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 -[37] C 200. 2.94 4.00 -0.17 -0.11 -0.20 0.04 - -0.0154 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 + -0.0145 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9961,30 +9884,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10001,13 +9924,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 12 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10026,20 +9949,20 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.1 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 24, C12X Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-03 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-02 0.1 E+03 [25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -10067,16 +9990,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.006 0.004 0.003 [03] Reversals @@ -10107,7 +10030,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10118,65 +10041,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.077 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.078 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 -0.00 0.00 -0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0072 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10200,20 +10123,18 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. [61] -1. -1. 1. 62. 77. @@ -10223,7 +10144,9 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10240,13 +10163,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 13 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10265,16 +10188,16 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.66E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.0 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd Forced termination after this cycle: Actual value condition on: shift/esd @@ -10302,16 +10225,16 @@ All cycle Rw 0.0 19. 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.003 0.004 0.001 [03] Reversals @@ -10342,7 +10265,7 @@ All cycle Rw 0.0 19. 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10353,65 +10276,65 @@ All cycle Rw 0.0 19. 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.077 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.060 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.075 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10613,7 +10536,7 @@ All cycle Rw 0.0 19. 0.10E+03 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 24 serial number 40 Address 336755 Length 90 Created on + Print list type 24 serial number 40 Address 333911 Length 90 Created on @@ -10623,7 +10546,6 @@ All cycle Rw 0.0 19. 0.10E+03 CALCULATED APPLIED 0.000 0.000 - -0.001 -0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10641,6 +10563,7 @@ All cycle Rw 0.0 19. 0.10E+03 0.000 0.000 0.000 0.000 0.000 0.000 + 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10867,8 +10790,8 @@ LS-scale= 6.302 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.27E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.27E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.341 0.0E+00 0.151E+00 2.26 SCALE for 35 parameters @@ -10909,12 +10832,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.041 +[31] 0.034 0.026 0.041 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.056 0.077 +[31] 0.058 0.057 0.077 [03] Reversals @@ -10959,62 +10882,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.065 +[31] 0.067 0.054 0.065 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.068 0.055 0.067 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.067 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.053 0.067 +[31] 0.069 0.054 0.067 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0111 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11103,8 +11026,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.89E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.89E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11181,15 +11104,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.005 0.007 +[31] 0.010 0.005 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.010 0.013 +[31] 0.020 0.010 0.013 [03] Reversals @@ -11234,62 +11157,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0649 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11378,8 +11301,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.80E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.80E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -11420,15 +11343,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -11473,62 +11396,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11617,8 +11540,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.77E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11675,15 +11598,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -11728,62 +11651,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0055 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11893,8 +11816,8 @@ LS-scale= 5.752 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 5.86E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 6E-04 [13] LARGE 1 1 7.0 0.0E+00 0.2 E+00 32.0 SCALE [14] S/ESD 2 2 0.521 0.0E+00 0.51 E-01 10.2 C 1 OCC Composite @@ -12056,15 +11979,15 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [38] Mean 7.06 0.28 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.036 0.031 0.028 +[31] 0.036 0.031 0.029 [71] R.M.S. 7. 0.36 0.04 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.122 0.114 0.168 +[31] 0.122 0.115 0.169 [70] Maximum 7. 0.52 0.06 0.02 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.235 0.286 0.319 +[31] 0.236 0.286 0.320 [03] Reversals @@ -12109,62 +12032,62 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [37] C 1. 0.94 1.00 -0.13 -0.09 -0.29 0.11 [73] 0.52 -0.00 0.00 0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 2. 0.94 1.00 -0.10 -0.20 -0.18 0.11 [73] 0.52 0.02 0.00 0.00 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.078 0.060 0.075 +[31] 0.078 0.061 0.076 [37] C 3. 0.94 1.00 -0.18 -0.19 -0.09 0.11 [73] 0.52 0.00 -0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 4. 0.94 1.00 -0.25 -0.05 -0.16 0.11 [73] 0.52 0.00 0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.076 +[31] 0.076 0.062 0.076 [37] C 5. 0.94 1.00 -0.22 0.00 -0.28 0.11 [73] 0.52 -0.00 -0.00 -0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.062 0.075 [37] C 11. 0.56 1.00 -0.09 -0.06 -0.46 0.12 [73] 0.04 0.00 0.00 -0.03 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.137 0.109 0.132 +[31] 0.137 0.110 0.132 [37] C 12. 0.56 1.00 -0.01 -0.30 -0.15 0.12 [73] 0.04 -0.01 0.03 -0.01 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.108 0.128 +[31] 0.134 0.108 0.128 [37] C 13. 0.56 1.00 -0.19 -0.25 0.04 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.134 0.108 0.131 +[31] 0.135 0.108 0.131 [37] C 14. 0.56 1.00 -0.33 0.00 -0.08 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.136 0.106 0.132 +[31] 0.137 0.106 0.132 [37] C 15. 0.56 1.00 -0.25 0.13 -0.35 0.12 [73] 0.04 0.01 -0.00 0.02 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.105 0.130 +[31] 0.134 0.105 0.130 [37] C 100. 0.25 4.00 -0.15 -0.09 -0.18 0.05 -2.6050 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.25 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [37] C 200. 2.18 4.00 -0.15 -0.09 -0.19 0.06 -0.2304 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.23 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [84] Mean C-C su = 0.08 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12253,8 +12176,8 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.72E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.153 -0.3E+00 0.47 E-01 -3.2 C 1 OCC Composite @@ -12434,15 +12357,15 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [38] Mean -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.015 +[31] 0.020 0.016 0.016 [71] R.M.S. 0. 0.13 0.03 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.074 0.082 0.132 +[31] 0.075 0.083 0.132 [70] Maximum 0. 0.15 0.04 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.171 0.169 0.317 +[31] 0.171 0.169 0.317 [03] Reversals @@ -12487,62 +12410,62 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [37] C 1. 0.79 1.00 -0.13 -0.09 -0.31 0.06 [73] -0.15 -0.00 0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.040 +[31] 0.043 0.034 0.040 [37] C 2. 0.79 1.00 -0.11 -0.21 -0.19 0.06 [73] -0.15 -0.00 -0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.033 0.042 +[31] 0.043 0.033 0.042 [37] C 3. 0.79 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.15 0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 4. 0.79 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.15 -0.00 -0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[31] 0.041 0.033 0.041 [37] C 5. 0.79 1.00 -0.22 0.00 -0.28 0.06 [73] -0.15 -0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.040 +[31] 0.042 0.034 0.041 [37] C 11. 0.45 1.00 -0.08 -0.06 -0.43 0.11 [73] -0.10 0.00 0.00 0.03 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.066 +[31] 0.069 0.054 0.067 [37] C 12. 0.45 1.00 0.00 -0.31 -0.14 0.11 [73] -0.10 0.01 -0.01 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.068 0.056 0.067 +[31] 0.069 0.057 0.067 [37] C 13. 0.45 1.00 -0.18 -0.25 0.05 0.11 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.070 0.056 0.068 [37] C 14. 0.45 1.00 -0.33 0.00 -0.07 0.11 [73] -0.10 0.00 0.00 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.068 +[31] 0.070 0.054 0.068 [37] C 15. 0.45 1.00 -0.25 0.15 -0.36 0.11 [73] -0.10 -0.00 0.01 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.067 +[31] 0.070 0.054 0.068 [37] C 100. 1.02 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.76 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.23 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.72 4.00 -0.16 -0.10 -0.19 0.05 [22] 0.54 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.15 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12631,8 +12554,8 @@ LS-scale= 6.331 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.173 0.1E+01 0.41 E-01 -4.1 C 1 OCC Composite @@ -12790,15 +12713,15 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [38] Mean -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.025 0.024 +[31] 0.030 0.026 0.025 [71] R.M.S. 0. 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.053 0.051 +[31] 0.056 0.053 0.052 [70] Maximum 0. 0.17 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.130 0.084 +[31] 0.119 0.130 0.084 [03] Reversals @@ -12843,62 +12766,62 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 0.62 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.17 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 2. 0.62 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.17 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.024 0.031 +[31] 0.032 0.024 0.031 [37] C 3. 0.62 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.17 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.031 +[31] 0.032 0.025 0.031 [37] C 4. 0.62 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.031 [37] C 5. 0.62 1.00 -0.22 0.00 -0.28 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 11. 0.39 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.06 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.074 0.059 0.072 [37] C 12. 0.39 1.00 0.00 -0.30 -0.13 0.09 [73] -0.06 0.00 0.01 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.39 1.00 -0.17 -0.24 0.05 0.09 [73] -0.06 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.39 1.00 -0.32 0.01 -0.06 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.39 1.00 -0.25 0.15 -0.35 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.074 0.059 0.073 [37] C 100. 1.88 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.86 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.20 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [37] C 200. 3.04 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.31 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.13 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12987,8 +12910,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.104 0.6E+00 0.34 E-01 -2.9 C 1 OCC Composite @@ -13053,12 +12976,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.040 0.037 0.027 +[31] 0.040 0.037 0.027 [70] Maximum 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.075 0.080 0.047 +[31] 0.075 0.080 0.048 [03] Reversals @@ -13103,62 +13026,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.038 0.030 0.037 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 4. 0.51 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.037 +[31] 0.037 0.030 0.037 [37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.037 0.030 0.037 [37] C 11. 0.36 1.00 -0.09 -0.06 -0.44 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.075 0.060 0.073 [37] C 12. 0.36 1.00 0.00 -0.31 -0.14 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.060 0.072 [37] C 13. 0.36 1.00 -0.17 -0.24 0.05 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.36 1.00 -0.32 0.01 -0.06 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.059 0.074 [37] C 15. 0.36 1.00 -0.25 0.15 -0.36 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.060 0.074 [37] C 100. 2.40 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.52 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.11 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13248,8 +13171,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.95E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.95E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13289,12 +13212,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.010 +[31] 0.014 0.016 0.011 [70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.037 0.026 +[31] 0.033 0.037 0.026 [03] Reversals @@ -13339,62 +13262,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.02 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.49 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.49 1.00 -0.22 0.00 -0.28 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.37 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.064 0.078 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.063 0.076 [37] C 13. 0.37 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.37 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.080 0.063 0.078 [37] C 15. 0.37 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.080 0.063 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0468 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13483,8 +13406,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.86E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 Composite Composite @@ -13600,12 +13523,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.017 +[31] 0.018 0.020 0.018 [03] Reversals @@ -13650,62 +13573,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.062 0.076 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.074 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.075 +[31] 0.078 0.062 0.076 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.03 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0202 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13794,8 +13717,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.81E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13839,12 +13762,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.001 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.003 +[31] 0.007 0.009 0.004 [03] Reversals @@ -13889,62 +13812,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.077 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.075 0.061 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0093 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14033,8 +13956,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.59E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -14078,12 +14001,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.007 0.004 [03] Reversals @@ -14128,62 +14051,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.075 0.060 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.074 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14385,7 +14308,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 24 serial number 54 Address 448446 Length 90 Created on + Print list type 24 serial number 54 Address 445602 Length 90 Created on diff --git a/test_suite/MIN64GH.org/slant.out b/test_suite/MIN64GH.org/slant.out index 266f2168b..7fdb12559 100644 --- a/test_suite/MIN64GH.org/slant.out +++ b/test_suite/MIN64GH.org/slant.out @@ -9,7 +9,6 @@ #LIST 13 #LIST 29 #LIST 5 -Bonds: Update required - There is no list 41 #LIST 12 #LIST 23 #SET MIRROR ON @@ -31,6 +30,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -363,7 +365,6 @@ Space group symbol is P 4 # PUNCHED ON 26-JAN93 AT 11:35:34 # #LIST 5 -Bonds: Update required - List5 length change # # PUNCHED ON 26-JAN93 AT 11:35:36 # @@ -478,7 +479,6 @@ LS-scale= 1.000 Wilson Scale= 0.000 C 250 0.50 0.420-0.273 0.000 1 0.040 0.000 0.000 0.00 0.00 0.00 0.000 0 C 251 0.50 0.446-0.227 0.000 1 0.040 0.000 0.000 0.00 0.00 0.00 0.000 0 List 5 now contains 9 atom(s) -Bonds: Update required - List5 length change #MOLAX @@ -595,9 +595,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 8.70 -0.12 0.0 0.02 -0.00 0.00 0.00 -0.00 0.00 -[35] -0.12 6.28 0.0 -0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 8.71 -0.12 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 +[35] -0.12 6.28 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -622,9 +622,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 -0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -643,9 +643,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -697,7 +697,7 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 SLANT FOURIER TESTS IN P6122 Date Time - Print list type 20 serial number 6 Address 35657 Length 234 Created on + Print list type 20 serial number 6 Address 35537 Length 234 Created on diff --git a/test_suite/MIN64GH.org/sphere.out b/test_suite/MIN64GH.org/sphere.out index 69c81e5f9..ce50a21b6 100644 --- a/test_suite/MIN64GH.org/sphere.out +++ b/test_suite/MIN64GH.org/sphere.out @@ -280,7 +280,6 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #LIST 28 #LIST 30 #LIST 5 -Bonds: Update required - There is no list 41 #LIST 12 # NOFSQ, NOANOM #LIST 23 @@ -292,6 +291,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -398,8 +400,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -436,15 +438,15 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -489,22 +491,22 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -586,8 +588,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -624,15 +626,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -677,22 +679,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -801,8 +803,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.014 0.0E+00 0.593E-02 -2.30 SCALE Composite @@ -850,12 +852,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [03] Reversals @@ -900,22 +902,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -973,8 +975,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.012 -0.1E+01 0.28 E-02 -4.3 O 1 U[33] for 16 parameters @@ -1019,12 +1021,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [03] Reversals @@ -1069,22 +1071,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1166,8 +1168,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1211,12 +1213,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -1261,22 +1263,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1358,8 +1360,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1396,15 +1398,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1449,22 +1451,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1547,8 +1549,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1585,15 +1587,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,22 +1640,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -2134,8 +2136,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2172,15 +2174,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [03] Reversals @@ -2225,22 +2227,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2322,8 +2324,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2360,15 +2362,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2413,22 +2415,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -2537,8 +2539,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.016 0.0E+00 0.613E-02 -2.66 SCALE Composite @@ -2586,12 +2588,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [03] Reversals @@ -2636,22 +2638,22 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2711,8 +2713,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.02E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.013 -0.1E+01 0.31 E-02 -4.1 O 1 U[33] for 16 parameters @@ -2757,12 +2759,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.009 0.025 +[31] 0.016 0.010 0.025 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.009 0.025 +[31] 0.016 0.010 0.025 [03] Reversals @@ -2807,22 +2809,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2904,8 +2906,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2949,12 +2951,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [03] Reversals @@ -2999,22 +3001,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3096,8 +3098,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3141,12 +3143,12 @@ All cycle Min function 0.0 0.26E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3191,22 +3193,22 @@ All cycle Min function 0.0 0.26E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3289,8 +3291,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3327,15 +3329,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3380,22 +3382,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3876,8 +3878,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3914,15 +3916,15 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [03] Reversals @@ -3967,22 +3969,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4064,8 +4066,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4102,15 +4104,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4155,22 +4157,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -4279,8 +4281,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.79E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.014 0.0E+00 0.591E-02 -2.38 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.2 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.44 E-02 2.5 O 1 U[33] @@ -4324,12 +4326,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] -0.05 -0.05 0.09 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [03] Reversals @@ -4374,22 +4376,22 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.010 +[31] 0.013 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4447,8 +4449,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -4497,12 +4499,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 0.00 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.030 +[31] 0.014 0.010 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.030 +[31] 0.014 0.010 0.030 [03] Reversals @@ -4547,22 +4549,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4635,8 +4637,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4680,12 +4682,12 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -4730,22 +4732,22 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4827,8 +4829,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4872,12 +4874,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4922,22 +4924,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5020,8 +5022,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5058,15 +5060,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5111,22 +5113,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -5607,8 +5609,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 Composite Composite @@ -5649,15 +5651,15 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [03] Reversals @@ -5702,22 +5704,22 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.01 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5799,8 +5801,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5844,12 +5846,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5894,22 +5896,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5991,8 +5993,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6029,15 +6031,15 @@ All cycle Rw 0.0 9.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6082,22 +6084,22 @@ All cycle Rw 0.0 9.3 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -6206,8 +6208,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.78E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.017 0.0E+00 0.612E-02 -2.74 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.0 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.46 E-02 2.5 O 1 U[33] @@ -6251,12 +6253,12 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [03] Reversals @@ -6301,22 +6303,22 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.08 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6376,8 +6378,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -6426,12 +6428,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 -0.01 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.011 0.033 +[31] 0.016 0.012 0.034 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.011 0.033 +[31] 0.016 0.012 0.034 [03] Reversals @@ -6476,22 +6478,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6566,8 +6568,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6611,12 +6613,12 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [03] Reversals @@ -6661,22 +6663,22 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6754,8 +6756,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6796,15 +6798,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6849,22 +6851,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6947,8 +6949,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6985,15 +6987,15 @@ All cycle Rw 0.0 9.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7038,22 +7040,22 @@ All cycle Rw 0.0 9.3 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 diff --git a/test_suite/MIN64GH.org/td-part.out b/test_suite/MIN64GH.org/td-part.out index a11881c36..027c8bb3b 100644 --- a/test_suite/MIN64GH.org/td-part.out +++ b/test_suite/MIN64GH.org/td-part.out @@ -64,7 +64,6 @@ Space group symbol is P 1 # PUNCHED ON 26/01/17 AT 13:33:47 # #LIST 5 -Bonds: Update required - There is no list 41 #BONDCALC FORCE # INPUT A TRADITIONAL LIST 6 #USE TD-PART-6.HKL @@ -195,8 +194,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -235,15 +234,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -377,8 +376,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -420,15 +419,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -562,8 +561,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -600,15 +599,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18908,8 +18907,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -18948,15 +18947,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19090,8 +19089,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -19133,15 +19132,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19275,8 +19274,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -19313,15 +19312,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals diff --git a/test_suite/MIN64GH.org/td-syst-sort.out b/test_suite/MIN64GH.org/td-syst-sort.out index ca1cbe5b9..e2d7918e8 100644 --- a/test_suite/MIN64GH.org/td-syst-sort.out +++ b/test_suite/MIN64GH.org/td-syst-sort.out @@ -66,7 +66,6 @@ Space group symbol is P 1 21/C 1 #LIST 28 #LIST 29 # COVALENT,VDW,IONIC,NUMBER,MUA,WEIGHT,COLOUR -Bonds: Update required - There is no list 41 #LIST 31 #LIST 39 # diff --git a/test_suite/MIN64GH.org/td-tors.out b/test_suite/MIN64GH.org/td-tors.out index df804f8d9..46a5df0d6 100644 --- a/test_suite/MIN64GH.org/td-tors.out +++ b/test_suite/MIN64GH.org/td-tors.out @@ -36,7 +36,6 @@ Space group symbol is C 1 2/C 1 # PUNCHED ON 27/07/11 AT 08:25:58 # #LIST 5 -Bonds: Update required - There is no list 41 #CLOSE HKLI #OPEN HKLI "TD-TORS.HKL" #HKLI @@ -66,6 +65,9 @@ Bonds: Update required - There is no list 41 #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -339,8 +341,8 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.65E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.65E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 2E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -380,12 +382,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.000 +[31] 0.007 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.001 0.000 +[31] 0.013 0.001 0.001 [03] Reversals @@ -430,22 +432,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.004 0.006 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #TORS @@ -464,18 +466,18 @@ O 8 1 1 0 0 0 0.3999 0.0622 0.3236 Variance-covariance matrix of selected atoms (x10^6) -[35] 14.20 -10.62 -3.1 6.24 -1.65 1.35 0.84 1.50 0.48 -[35] -10.62 33.13 3.7 -1.53 9.25 0.64 -1.43 -0.60 -4.49 -[35] -3.11 3.70 7.8 1.18 0.58 5.17 4.90 -0.37 6.40 -[35] 6.24 -1.53 1.1 5.02 -0.25 1.89 4.12 0.21 1.71 -[35] -1.65 9.25 0.5 -0.25 5.50 0.12 -0.18 3.79 -0.73 -[35] 1.35 0.64 5.1 1.89 0.12 4.85 2.32 -0.09 4.94 -[35] 0.84 -1.43 4.9 4.12 -0.18 2.32 9.92 -1.65 4.26 -[35] 1.50 -0.60 -0.3 0.21 3.79 -0.09 -1.65 9.75 2.16 -[35] 0.48 -4.49 6.4 1.71 -0.73 4.94 4.26 2.16 7.66 -[35] 5.43 5.48 0.8 4.96 0.76 1.87 0.88 1.07 0.13 -[35] 2.28 0.22 -0.9 0.27 4.25 -0.06 2.28 1.27 -0.68 -[35] 5.83 3.28 1.7 2.63 0.61 4.51 -1.70 -2.11 1.04 +[35] 14.20 -10.62 -3.11 6.25 -1.66 1.35 0.84 1.50 0.48 +[35] -10.62 33.14 3.71 -1.54 9.26 0.64 -1.43 -0.60 -4.50 +[35] -3.11 3.71 7.85 1.19 0.59 5.17 4.90 -0.37 6.41 +[35] 6.25 -1.54 1.19 5.02 -0.26 1.89 4.12 0.21 1.72 +[35] -1.66 9.26 0.59 -0.26 5.51 0.13 -0.19 3.80 -0.74 +[35] 1.35 0.64 5.17 1.89 0.13 4.86 2.32 -0.09 4.94 +[35] 0.84 -1.43 4.90 4.12 -0.19 2.32 9.92 -1.65 4.27 +[35] 1.50 -0.60 -0.37 0.21 3.80 -0.09 -1.65 9.75 2.16 +[35] 0.48 -4.50 6.41 1.72 -0.74 4.94 4.27 2.16 7.67 +[35] 5.43 5.48 0.83 4.96 0.76 1.88 0.89 1.08 0.13 +[35] 2.28 0.23 -0.92 0.28 4.25 -0.06 2.29 1.27 -0.69 +[35] 5.84 3.29 1.78 2.63 0.62 4.52 -1.71 -2.11 1.05 @@ -572,11 +574,11 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.58E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.58E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 Inversion method: Automatic -Block No 2. Single precision relative error: 3.90E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.90E-07 +[80a] Block No 2. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 52 parameters [64] The rms (shift/su) = 0. @@ -616,12 +618,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [03] Reversals @@ -666,52 +668,52 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] CU 1. 1.00 0.00 0.44 -0.08 0.54 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] O 2. 1.00 0.00 0.40 0.12 0.57 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.43 0.25 0.55 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] O 4. 1.00 0.00 0.49 0.26 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.39 0.39 0.58 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] O 10. 1.00 0.00 0.37 -0.20 0.63 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.000 0.000 +[31] 0.004 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #USE TORSION.DAT @@ -748,18 +750,18 @@ O 10 1 1 0 1 0 0.3764 0.7910 0.6334 Variance-covariance matrix of selected atoms (x10^6) -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 diff --git a/test_suite/MIN64GH.org/td_rest.out b/test_suite/MIN64GH.org/td_rest.out index 9b4436709..b5ee393ed 100644 --- a/test_suite/MIN64GH.org/td_rest.out +++ b/test_suite/MIN64GH.org/td_rest.out @@ -242,11 +242,12 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. # PUNCHED ON 30/09/11 AT 12:38:09 # #LIST 5 -Bonds: Update required - There is no list 41 #LIST 16 #LIST 26 #CLEAR 17 #LIST 17 +#BONDCALC +Bonds: Update required - There is no list 41 #LIST 26 @@ -500,8 +501,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -539,15 +540,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -592,12 +593,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -814,8 +815,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -853,15 +854,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -906,12 +907,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1062,8 +1063,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1100,15 +1101,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1153,12 +1154,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1298,8 +1299,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1336,15 +1337,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1389,12 +1390,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1545,8 +1546,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.52E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.52E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 7 7 -0.025 0.0E+00 0.13 E-02 -18.8 C 7 U[11] [14] S/ESD 12 12 -0.011 0.0E+00 0.13 E-02 -8.3 C 7 U[12] @@ -1585,15 +1586,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,12 +1639,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1798,8 +1799,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.85E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 1 1 0.023 0.0E+00 0.12 E-02 18.1 O 6 U[11] [14] S/ESD 6 6 0.010 0.0E+00 0.12 E-02 8.0 O 6 U[12] @@ -1838,15 +1839,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1891,12 +1892,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.08 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2047,8 +2048,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9.36E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2085,15 +2086,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2138,12 +2139,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2283,8 +2284,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.93E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2321,15 +2322,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2374,12 +2375,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2532,10 +2533,10 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.56E-03 +[80a] Block No 1. Single precision relative error: 4E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 6.64E-12 -[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 6.64E-12 +[80a] Block No 1. Double precision relative error: 7E-12 +[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 7E-12 for 6 parameters [64] The rms (shift/su) = 0. @@ -2575,12 +2576,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.021 +[31] 0.011 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.027 +[31] 0.014 0.018 0.027 [03] Reversals @@ -2625,12 +2626,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.105 0.091 0.079 +[31] 0.105 0.091 0.080 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.124 0.108 0.081 +[31] 0.124 0.109 0.081 [84] Mean C-C su = 0.09 #CYCLENDS #CHECK HI @@ -2755,8 +2756,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.44E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6.44E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2796,12 +2797,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 -0.01 -0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.016 0.030 +[31] 0.011 0.017 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.023 0.041 +[31] 0.015 0.023 0.042 [03] Reversals @@ -2846,12 +2847,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.108 0.092 0.097 +[31] 0.108 0.093 0.097 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.106 0.047 +[31] 0.119 0.107 0.048 [84] Mean C-C su = 0.09 #CYCLENDS #SFLS @@ -2934,8 +2935,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 6.77E-04 +[80a] Block No 1. Single precision relative error: 7E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 7E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2975,12 +2976,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.001 0.006 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.002 0.008 +[31] 0.006 0.002 0.009 [03] Reversals @@ -3025,12 +3026,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.021 +[31] 0.024 0.021 0.022 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.024 0.010 +[31] 0.027 0.024 0.011 [84] Mean C-C su = 0.02 #CYCLENDS #CHECK HI diff --git a/test_suite/MIN64GH.org/test-rest.out b/test_suite/MIN64GH.org/test-rest.out index d1e15e798..0b130a98d 100644 --- a/test_suite/MIN64GH.org/test-rest.out +++ b/test_suite/MIN64GH.org/test-rest.out @@ -63,8 +63,8 @@ Refining 131 parameters in 1 block : 8924 elements in the LS matrix. #LIST 26 #BONDCALC #LIST 29 -Bonds: Update required - There is no list 41 #BONDCALC +Bonds: Update required - There is no list 41 #LIST 26 #CHECK @@ -308,8 +308,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.11E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 for 131 parameters [64] The rms (shift/su) = 1. @@ -349,12 +349,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.006 0.007 +[31] 0.014 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.016 0.015 +[31] 0.036 0.017 0.016 [03] Reversals @@ -399,102 +399,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.019 +[31] 0.023 0.022 0.019 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.027 0.026 0.025 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.024 0.024 +[31] 0.026 0.025 0.025 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.034 0.033 0.033 +[31] 0.034 0.033 0.034 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.027 +[31] 0.025 0.025 0.028 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.029 0.031 +[31] 0.033 0.030 0.032 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.032 +[31] 0.036 0.037 0.032 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.036 0.035 0.033 +[31] 0.037 0.035 0.034 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.017 +[31] 0.017 0.023 0.018 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -768,8 +768,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.45E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.45E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 121 parameters [64] The rms (shift/su) = 0. @@ -809,12 +809,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.007 0.006 +[31] 0.014 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.016 0.013 +[31] 0.037 0.017 0.013 [03] Reversals @@ -859,102 +859,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.017 +[31] 0.021 0.020 0.017 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.023 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.022 0.022 +[31] 0.023 0.022 0.022 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.029 +[31] 0.030 0.030 0.030 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.024 +[31] 0.022 0.022 0.025 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.026 0.028 +[31] 0.029 0.026 0.028 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.031 0.032 0.028 +[31] 0.032 0.033 0.029 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.030 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.015 +[31] 0.015 0.021 0.016 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -1134,8 +1134,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-04 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3.01E-04 +[80a] Block No 1. Single precision relative error: 3E-04 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3E-04 [14] S/ESD 98 98 -0.010 0.1E+01 0.10 E-01 -1.0 H 101 X for 121 parameters @@ -1176,12 +1176,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.013 0.021 +[31] 0.023 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.050 0.043 0.081 +[31] 0.050 0.044 0.081 [03] Reversals @@ -1226,102 +1226,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.003 0.004 0.004 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.007 0.003 0.013 +[31] 0.008 0.003 0.014 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.038 0.036 0.037 +[31] 0.038 0.037 0.037 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.037 0.036 0.035 +[31] 0.037 0.036 0.036 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.01 0.00 0.00 0.01 -[31] 0.049 0.047 0.048 +[31] 0.050 0.048 0.049 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.039 +[31] 0.036 0.036 0.040 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.017 0.027 0.036 +[31] 0.017 0.028 0.036 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.025 0.030 +[31] 0.031 0.026 0.030 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.028 0.025 0.039 +[31] 0.028 0.025 0.040 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.034 0.034 +[31] 0.035 0.034 0.034 [84] Mean C-C su = 0.00 #CYCLENDS #END diff --git a/test_suite/MIN64GH.org/test1.out b/test_suite/MIN64GH.org/test1.out index e4139c3f3..f0a64d64e 100644 --- a/test_suite/MIN64GH.org/test1.out +++ b/test_suite/MIN64GH.org/test1.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -310,6 +309,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is NORMAL #SFLS @@ -469,8 +471,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +512,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +562,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +694,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +739,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +789,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +921,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +959,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1012,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1157,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1201,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1251,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1383,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1428,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1478,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1610,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1655,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1705,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1837,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1879,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1932,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2079,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2132,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2185,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2317,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2363,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2416,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2509,7 +2511,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2667,7 +2668,6 @@ LS-scale= 1.733 Wilson Scale= 0.000 with an R.M.S. deviation of 0.10 #PEAKS List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -2684,11 +2684,11 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3598,7 +3598,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -3967,8 +3966,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.83E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4008,12 +4007,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -4058,57 +4057,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4190,8 +4189,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.78E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4235,12 +4234,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -4285,57 +4284,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4417,8 +4416,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4462,12 +4461,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4512,57 +4511,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4657,8 +4656,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.025 0.0E+00 0.143E-01 1.76 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.7 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.0 N 6 U[ISO] @@ -4701,12 +4700,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4751,57 +4750,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4883,8 +4882,8 @@ LS-scale= 1.482 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -4928,12 +4927,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4978,57 +4977,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5110,8 +5109,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5155,12 +5154,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -5205,57 +5204,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5337,8 +5336,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5379,15 +5378,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -5432,57 +5431,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5579,8 +5578,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1E-05 S/ESD 1 1 0.023 0.0E+00 0.140E-01 1.62 SCALE [13] LARGE 2 2 46.8 0.0E+00 0.9 E+01 4.8 EXTPARAM [14] S/ESD 15 15 0.019 0.0E+00 0.38 E-02 5.0 O 3 U[11] @@ -5633,15 +5632,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 23.43 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 33. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 46. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5686,57 +5685,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5818,8 +5817,8 @@ LS-scale= 1.510 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.24E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.24E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 S/ESD 1 1 0.020 0.9E+00 0.128E-01 1.59 SCALE [44] Resetting shift for Extinction Shift= 46.0 Esd= 9.6 New shift= 9.37 [13] LARGE 2 2 9.3 0.1E+01 0.9 E+01 4.7 EXTPARAM @@ -5863,15 +5862,15 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [38] Mean 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 6. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 9. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5916,60 +5915,61 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -6011,7 +6011,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.05 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.05 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -6185,7 +6184,6 @@ LS-scale= 1.531 Wilson Scale= 0.000 [91] C 11. Q 2. 0.389 Deleted 4.1 List now contains 27 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -6202,9 +6200,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -6474,8 +6472,8 @@ LS-scale= 1.531 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.034 0.0E+00 0.111E-01 -3.06 SCALE [14] S/ESD 22 22 -0.041 0.0E+00 0.41 E-02 -10.1 C 4 U[ISO] [14] S/ESD 43 43 0.010 0.0E+00 0.11 E-02 8.6 O 8 U[ISO] @@ -6515,15 +6513,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.002 0.001 +[31] -0.000 0.003 0.001 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.009 +[31] 0.006 0.006 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.017 +[31] 0.012 0.013 0.017 [03] Reversals @@ -6568,57 +6566,57 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.03 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.010 0.009 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6700,8 +6698,8 @@ LS-scale= 1.497 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.28E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6742,15 +6740,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.007 +[31] 0.002 0.004 0.008 [03] Reversals @@ -6795,57 +6793,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6927,8 +6925,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.27E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6972,12 +6970,12 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.001 [03] Reversals @@ -7022,57 +7020,57 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -7115,7 +7113,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -7483,8 +7480,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -7525,12 +7522,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -7575,57 +7572,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -7707,8 +7704,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7752,12 +7749,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -7802,57 +7799,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7934,8 +7931,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7979,12 +7976,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -8029,57 +8026,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8174,8 +8171,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -8217,12 +8214,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -8267,57 +8264,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8399,8 +8396,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8444,12 +8441,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8494,57 +8491,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8626,8 +8623,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8671,12 +8668,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -8721,57 +8718,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8853,8 +8850,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8891,15 +8888,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8944,57 +8941,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9091,8 +9088,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -9146,15 +9143,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9199,57 +9196,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9331,8 +9328,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -9377,15 +9374,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9430,60 +9427,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -9525,7 +9523,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -9694,7 +9691,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -9711,9 +9707,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -9983,8 +9979,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -10023,15 +10019,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -10076,57 +10072,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10208,8 +10204,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10250,15 +10246,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -10303,57 +10299,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10435,8 +10431,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10480,12 +10476,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -10530,57 +10526,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -10623,7 +10619,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - List5 length change #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -10991,8 +10986,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -11033,12 +11028,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -11083,57 +11078,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -11215,8 +11210,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11260,12 +11255,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -11310,57 +11305,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11442,8 +11437,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11487,12 +11482,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -11537,57 +11532,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11682,8 +11677,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -11725,12 +11720,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -11775,57 +11770,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11907,8 +11902,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -11952,12 +11947,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -12002,57 +11997,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12134,8 +12129,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12179,12 +12174,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -12229,57 +12224,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12361,8 +12356,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12399,15 +12394,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12452,57 +12447,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -12599,8 +12594,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -12654,15 +12649,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12707,57 +12702,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12839,8 +12834,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -12885,15 +12880,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12938,60 +12933,61 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H33 C(4) O(3) C(2) H33 C(9) C(7) N(6) @@ -13033,7 +13029,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -13202,7 +13197,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -13219,9 +13213,9 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -13491,8 +13485,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -13531,15 +13525,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -13584,57 +13578,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13716,8 +13710,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13758,15 +13752,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -13811,57 +13805,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13943,8 +13937,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13988,12 +13982,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14038,57 +14032,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GH.org/test2.out b/test_suite/MIN64GH.org/test2.out index e55a325b0..74e7019dd 100644 --- a/test_suite/MIN64GH.org/test2.out +++ b/test_suite/MIN64GH.org/test2.out @@ -345,10 +345,11 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. LIST 4 weighting type is 1/FO #LIST 28 #LIST 5 +#EDIT +#BONDCALC Bonds: Update required - There is no list 41 #EDIT List 5 now contains 12 atom(s) -Bonds: Update required - List5 length change #EDIT List 5 now contains 12 atom(s) #EDIT @@ -357,12 +358,12 @@ Bonds: Update required - List5 length change The following atom(s) will be deleted C 12 List 5 now contains 10 atom(s) -Bonds: Update required - List5 length change #EDIT List 5 now contains 10 atom(s) #REGROUP List now contains 10 atoms #DISTANCES +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -815,7 +816,7 @@ Refining 41 parameters in 1 block : 959 elements in the LS matrix. Keen in P21/c Date Time - Print list type 12 serial number 2 Address 89814 Length 52 Created on + Print list type 12 serial number 2 Address 89609 Length 52 Created on 0 BLOCK SCALE X'S, U[ISO] @@ -905,8 +906,8 @@ LS-scale= 4.136 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.82E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.82E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 [13] LARGE 1 1 1.4 0.0E+00 0.3 E+00 3.7 SCALE for 41 parameters @@ -944,15 +945,15 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [38] Mean 1.41 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.000 0.007 +[31] -0.001 0.001 0.008 [71] R.M.S. 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.036 0.021 +[31] 0.019 0.036 0.022 [70] Maximum 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.089 0.046 +[31] 0.041 0.089 0.047 [03] Reversals @@ -997,52 +998,52 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.015 +[31] 0.016 0.014 0.015 [37] C 9. 1.00 1.00 0.01 0.09 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.025 0.023 0.022 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1124,8 +1125,8 @@ LS-scale= 4.303 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.25E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.25E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1169,12 +1170,12 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.004 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.015 +[31] 0.010 0.015 0.015 [03] Reversals @@ -1219,52 +1220,52 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.02 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.019 +[31] 0.021 0.020 0.019 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1346,8 +1347,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1388,15 +1389,15 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.001 0.003 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.006 0.002 +[31] 0.001 0.007 0.002 [03] Reversals @@ -1441,52 +1442,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1568,8 +1569,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1613,12 +1614,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -1663,52 +1664,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1790,8 +1791,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1828,15 +1829,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -1881,52 +1882,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2009,8 +2010,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -2047,15 +2048,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2100,52 +2101,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -2242,8 +2243,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.26E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.26E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 42 42 0.010 0.0E+00 0.60 E-02 1.7 C 5 U[22] [14] S/ESD 52 52 -0.010 0.0E+00 0.58 E-02 -1.7 C 6 U[33] [14] S/ESD 59 59 0.022 0.0E+00 0.66 E-02 3.3 C 7 U[11] @@ -2295,12 +2296,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.03 0.01 0.01 0.01 0.01 -[31] 0.012 0.005 0.003 +[31] 0.012 0.006 0.004 [03] Reversals @@ -2345,52 +2346,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.03 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2472,8 +2473,8 @@ LS-scale= 4.287 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.36E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 78 78 0.019 0.5E+00 0.12 E-01 1.5 C 9 U[22] for 91 parameters @@ -2518,12 +2519,12 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.007 [03] Reversals @@ -2568,52 +2569,52 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.012 +[31] 0.015 0.012 0.012 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.013 0.014 0.011 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.016 +[31] 0.014 0.020 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2695,8 +2696,8 @@ LS-scale= 4.308 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2740,12 +2741,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.002 0.004 0.003 [03] Reversals @@ -2790,52 +2791,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.022 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2917,8 +2918,8 @@ LS-scale= 4.311 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2962,12 +2963,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [03] Reversals @@ -3012,52 +3013,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3139,8 +3140,8 @@ LS-scale= 4.312 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.38E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.38E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -3180,12 +3181,12 @@ All cycle Rw 0.0 44. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -3230,52 +3231,52 @@ All cycle Rw 0.0 44. 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -3298,36 +3299,36 @@ All cycle Rw 0.0 44. 0.10E+03 Reflections with greatest unexpected extra intensity: h k l (Fo2-Fc2)/s Fo^2 Fc^2 Sigma -[94] 1 5 2 56.18 2883.1 8. 51.2 -[94] 2 3 4 54.41 7139.2 294. 125.8 -[94] 0 1 3 53.85 1068.6 3. 19.8 -[94] 1 4 0 51.95 14475.9 1210. 255.3 -[94] 2 2 1 51.48 1019.6 161. 16.7 -[94] -1 3 2 49.97 27836.6 21. 556.6 -[94] 2 1 5 49.85 3549.5 334. 64.5 -[94] 1 1 7 49.63 1803.8 10. 36.1 -[94] -1 3 1 48.26 16032.5 49. 331.2 -[94] 1 2 4 48.04 7929.7 315. 158.5 -[94] 4 2 2 47.95 3638.6 18. 75.5 -[94] 1 6 0 46.90 1748.1 476. 27.1 -[94] 1 7 3 46.43 4585.1 7. 98.6 -[94] -1 4 4 45.81 2768.0 249. 55.0 -[94] 1 4 5 45.35 2854.0 6. 62.8 -[94] 1 7 1 45.31 5566.9 195. 118.5 -[94] 1 3 6 45.25 10318.9 1924. 185.5 -[94] -1 5 1 45.05 1132.8 176. 21.2 -[94] 2 1 3 42.93 4017.0 1240. 64.7 -[94] 3 2 1 42.93 18145.0 5482. 295.0 -[94] 3 1 1 42.73 10184.8 3721. 151.3 -[94] -1 7 3 41.11 3420.5 628. 67.9 -[94] 1 3 2 40.51 21453.3 8853. 311.1 -[94] 3 1 7 39.98 2458.5 93. 59.1 -[94] -2 1 4 39.49 6914.0 13. 174.7 -[94] 3 3 6 39.35 9058.6 218. 224.7 -[94] -1 1 6 39.09 16077.7 3226. 328.7 -[94] -1 4 3 39.09 27203.2 6960. 517.8 -[94] 5 1 0 39.07 4400.8 544. 98.7 -[94] -2 1 2 38.92 5904.6 1166. 121.7 +[94] 1 5 2 56.18 2883.1 9 51.2 +[94] 2 3 4 54.41 7139.2 294 125.8 +[94] 0 1 3 53.85 1068.6 3 19.8 +[94] 1 4 0 51.95 14475.9 1210 255.3 +[94] 2 2 1 51.48 1019.6 161 16.7 +[94] -1 3 2 49.97 27836.6 21 556.6 +[94] 2 1 5 49.85 3549.5 334 64.5 +[94] 1 1 7 49.63 1803.8 11 36.1 +[94] -1 3 1 48.26 16032.5 49 331.2 +[94] 1 2 4 48.04 7929.7 315 158.5 +[94] 4 2 2 47.95 3638.6 19 75.5 +[94] 1 6 0 46.90 1748.1 477 27.1 +[94] 1 7 3 46.43 4585.1 8 98.6 +[94] -1 4 4 45.81 2768.0 250 55.0 +[94] 1 4 5 45.35 2854.0 6 62.8 +[94] 1 7 1 45.31 5566.9 195 118.5 +[94] 1 3 6 45.25 10318.9 1924 185.5 +[94] -1 5 1 45.05 1132.8 177 21.2 +[94] 2 1 3 42.93 4017.0 1241 64.7 +[94] 3 2 1 42.93 18145.0 5483 295.0 +[94] 3 1 1 42.73 10184.8 3721 151.3 +[94] -1 7 3 41.11 3420.5 628 67.9 +[94] 1 3 2 40.51 21453.3 8854 311.1 +[94] 3 1 7 39.98 2458.5 94 59.1 +[94] -2 1 4 39.49 6914.0 14 174.7 +[94] 3 3 6 39.35 9058.6 218 224.7 +[94] -1 1 6 39.09 16077.7 3227 328.7 +[94] -1 4 3 39.09 27203.2 6961 517.8 +[94] 5 1 0 39.07 4400.8 544 98.7 +[94] -2 1 2 38.92 5904.6 1167 121.7 Each set of indices above is transformed by the printed rotation matrix. How far the transformed indices are @@ -3617,7 +3618,7 @@ LS-scale= 4.747 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 12 serial number 4 Address 170822 Length 84 Created on + Print list type 12 serial number 4 Address 170617 Length 84 Created on 0 FULL X'S 1 SUMFIX ELEMENT SCALES @@ -3714,8 +3715,8 @@ LS-scale= 4.747 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 2 @@ -3757,12 +3758,12 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.018 +[31] 0.020 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.028 0.038 +[31] 0.042 0.028 0.038 [03] Reversals @@ -3818,52 +3819,52 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.012 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3945,8 +3946,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 1 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 2 @@ -3992,12 +3993,12 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -4053,52 +4054,52 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4180,8 +4181,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4225,12 +4226,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -4286,52 +4287,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4413,8 +4414,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4458,12 +4459,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -4519,52 +4520,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4646,8 +4647,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4688,15 +4689,15 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -4752,52 +4753,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -4808,7 +4809,7 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 5 Address 177280 Length 112 Created on + Print list type 12 serial number 5 Address 177075 Length 112 Created on 0 BLOCK SCALE X'S CL(10,U[ISO]) 1 SUMFIX ELEMENT SCALES @@ -4904,8 +4905,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 1. @@ -4945,12 +4946,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [03] Reversals @@ -5006,52 +5007,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5133,8 +5134,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5175,15 +5176,15 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -5239,52 +5240,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5366,8 +5367,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5404,15 +5405,15 @@ All cycle Rw 0.0 18. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5468,52 +5469,52 @@ All cycle Rw 0.0 18. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -5524,7 +5525,7 @@ All cycle Rw 0.0 18. 0.10E+03 Keen in P21/c Date Time - Print list type 12 serial number 6 Address 179993 Length 148 Created on + Print list type 12 serial number 6 Address 179788 Length 148 Created on 0 BLOCK SCALE X'S FIRST(U[ISO]) UNTIL C(9) CL(10,U'S) 1 SUMFIX ELEMENT SCALES @@ -5621,8 +5622,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.7 C 9 U[ISO] for 47 parameters @@ -5663,12 +5664,12 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.005 +[31] 0.009 0.006 0.005 [03] Reversals @@ -5724,52 +5725,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5851,8 +5852,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -5893,15 +5894,15 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -5957,52 +5958,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6084,8 +6085,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6126,15 +6127,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6190,52 +6191,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6317,8 +6318,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6359,15 +6360,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6423,52 +6424,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6550,8 +6551,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6592,15 +6593,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6656,52 +6657,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -6712,7 +6713,7 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 7 Address 179993 Length 148 Created on + Print list type 12 serial number 7 Address 179788 Length 148 Created on 0 FULL X'S U'S 1 SUMFIX ELEMENT SCALES @@ -6809,8 +6810,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.026 0.0E+00 0.28 E-02 9.3 C 7 U[11] [14] S/ESD 60 60 -0.015 0.0E+00 0.28 E-02 -5.3 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -6861,12 +6862,12 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.005 0.003 +[31] 0.004 0.006 0.003 [03] Reversals @@ -6922,52 +6923,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.03 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7049,8 +7050,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.89E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 5.0 C 7 U[11] [14] S/ESD 78 78 0.015 0.5E+00 0.32 E-02 4.8 C 9 U[22] @@ -7096,12 +7097,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -7157,52 +7158,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7284,8 +7285,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.69E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.69E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7329,12 +7330,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -7390,52 +7391,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7517,8 +7518,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.93E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.93E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7562,12 +7563,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -7623,52 +7624,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7750,8 +7751,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.99E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.99E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7792,15 +7793,15 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7856,52 +7857,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -7963,7 +7964,6 @@ H33 C(9) C(1) N(2) [82] H 92.0 1.00000 1. 0.02 0.01 0.87 0.06 [82] H 93.0 1.00000 1. -0.06 0.12 0.78 0.06 List now contains 22 atoms -Bonds: Update required - List5 length change # NOW DO A FOURIER TO FIND THE H #SFLS #SPEC NO NO @@ -8121,7 +8121,6 @@ LS-scale= 4.749 Wilson Scale= 4.723 with an R.M.S. deviation of 0.05 #PEAKS List now contains 24 atoms -Bonds: Update required - List5 length change #COLL #EDIT The following atom(s) will be selected @@ -8132,7 +8131,6 @@ Bonds: Update required - List5 length change The following atom(s) will be changed H 1 List 5 now contains 23 atom(s) -Bonds: Update required - List5 length change # NOW REFINE SOME MORE. #LIST 12 #SFLS @@ -8225,8 +8223,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.89E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.024 0.0E+00 0.964E-02 -2.47 SCALE for 92 parameters @@ -8267,12 +8265,12 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.006 +[31] 0.010 0.011 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.025 0.016 +[31] 0.018 0.025 0.016 [03] Reversals @@ -8328,52 +8326,52 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8455,8 +8453,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.34 SCALE for 92 parameters @@ -8501,12 +8499,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -8562,52 +8560,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8689,8 +8687,8 @@ LS-scale= 4.743 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.29 SCALE for 92 parameters @@ -8732,15 +8730,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8796,52 +8794,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8923,8 +8921,8 @@ LS-scale= 4.739 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.031 0.1E+01 0.960E-02 -3.23 SCALE for 92 parameters @@ -8966,15 +8964,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9030,52 +9028,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9157,8 +9155,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.030 0.1E+01 0.960E-02 -3.17 SCALE for 92 parameters @@ -9200,15 +9198,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9264,52 +9262,52 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -9572,7 +9570,7 @@ The slope and correlation coefficient should be small List type 11 with serial number 136 is the current version. You may still save this list with DELETE n ACTION=NO #PURGE - List type 11 serial number 136 from 183877 to 188315 will not be copied ( deleted ) + List type 11 serial number 136 from 183672 to 188110 will not be copied ( deleted ) The Data file is being rebuilt - DO NOT abort the program The new disc index has been re-written @@ -9657,8 +9655,8 @@ LS-scale= 4.733 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.20E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.20E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.5E+00 0.965E-02 -1.68 SCALE for 92 parameters @@ -9696,15 +9694,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.002 [03] Reversals @@ -9760,52 +9758,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9887,8 +9885,8 @@ LS-scale= 4.731 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.97E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.97E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.70 SCALE for 92 parameters @@ -9930,15 +9928,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9994,52 +9992,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10121,8 +10119,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.67 SCALE for 92 parameters @@ -10164,15 +10162,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10228,52 +10226,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10355,8 +10353,8 @@ LS-scale= 4.728 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.64 SCALE for 92 parameters @@ -10398,15 +10396,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10462,52 +10460,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10589,8 +10587,8 @@ LS-scale= 4.726 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.62 SCALE for 92 parameters @@ -10632,15 +10630,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10696,52 +10694,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10978,8 +10976,8 @@ LS-scale= 4.724 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.59 SCALE for 92 parameters @@ -11017,15 +11015,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11081,52 +11079,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11209,8 +11207,8 @@ LS-scale= 4.723 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.56 SCALE for 92 parameters @@ -11248,15 +11246,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11312,52 +11310,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11440,8 +11438,8 @@ LS-scale= 4.721 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.53 SCALE for 92 parameters @@ -11479,15 +11477,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11543,52 +11541,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11671,8 +11669,8 @@ LS-scale= 4.720 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.51 SCALE for 92 parameters @@ -11710,15 +11708,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11774,52 +11772,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11902,8 +11900,8 @@ LS-scale= 4.718 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.48 SCALE for 92 parameters @@ -11941,15 +11939,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12005,52 +12003,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12133,8 +12131,8 @@ LS-scale= 4.717 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.45 SCALE for 92 parameters @@ -12172,15 +12170,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12236,52 +12234,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12458,6 +12456,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Mean electron density at original atomic sites is -0.02 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -12643,7 +12642,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 12 serial number 8 Address 72371 Length 148 Created on + Print list type 12 serial number 8 Address 72570 Length 148 Created on 0 BLOCK SCALE X'S, U'S 1 SUMFIX ELEMENT SCALES @@ -12657,7 +12656,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 16 serial number 4 Address 70638 Length 576 Created on + Print list type 16 serial number 4 Address 70837 Length 576 Created on 0 LIMIT 0.01000000 ELEMENT SCALES 1 LIMIT 0.01000000 SCALE @@ -12682,7 +12681,7 @@ LS-scale= 4.715 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 17 serial number 8 Address 3709 Length 36 Created on + Print list type 17 serial number 8 Address 3908 Length 36 Created on 0 NO @@ -12695,7 +12694,6 @@ LS-scale= 4.715 Wilson Scale= 4.723 # HERE IS THE ATOM LIST WITH COORDS BEFORE TWIN ELEMENTS HAVE # BEEN REFINED. #LIST 5 -Bonds: Update required - List5 length change # MAKE SURE SCALE IS RIGHT. #SFLS #WEIGHT @@ -12775,7 +12773,7 @@ LS-scale= 4.746 Wilson Scale= 4.723 Keen in P21/c Date Time - Print list type 12 serial number 9 Address 72371 Length 148 Created on + Print list type 12 serial number 9 Address 72570 Length 148 Created on 0 FULL X'S 1 SUMFIX ELEMENT SCALES @@ -12872,8 +12870,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.11E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.13 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -12916,12 +12914,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -12977,52 +12975,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13104,8 +13102,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.85E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.62 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 2 @@ -13152,12 +13150,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.007 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.005 +[31] 0.019 0.004 0.005 [03] Reversals @@ -13213,52 +13211,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13340,8 +13338,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.67 SCALE for 32 parameters @@ -13386,12 +13384,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.002 0.002 [03] Reversals @@ -13447,52 +13445,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13574,8 +13572,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.83E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.44 SCALE for 32 parameters @@ -13620,12 +13618,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -13681,52 +13679,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13808,8 +13806,8 @@ LS-scale= 4.843 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -13850,15 +13848,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -13914,52 +13912,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -13970,7 +13968,7 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 10 Address 72371 Length 148 Created on + Print list type 12 serial number 10 Address 72570 Length 148 Created on 0 BLOCK SCALE X'S CL(10,U[ISO]) 1 SUMFIX ELEMENT SCALES @@ -14066,8 +14064,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.08 SCALE for 33 parameters @@ -14105,15 +14103,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14169,52 +14167,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14296,8 +14294,8 @@ LS-scale= 4.831 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.51 SCALE for 33 parameters @@ -14339,15 +14337,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -14403,52 +14401,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14530,8 +14528,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14572,15 +14570,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14636,52 +14634,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14763,8 +14761,8 @@ LS-scale= 4.810 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14805,15 +14803,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14869,52 +14867,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14996,8 +14994,8 @@ LS-scale= 4.804 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -15038,15 +15036,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15102,52 +15100,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -15158,7 +15156,7 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 11 Address 72371 Length 148 Created on + Print list type 12 serial number 11 Address 72570 Length 148 Created on 0 BLOCK SCALE X'S FIRST(U[ISO]) UNTIL C(9) CL(10,U'S) 1 SUMFIX ELEMENT SCALES @@ -15255,8 +15253,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.4 C 9 U[ISO] @@ -15298,12 +15296,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [03] Reversals @@ -15359,52 +15357,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15486,8 +15484,8 @@ LS-scale= 4.781 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -15532,12 +15530,12 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -15593,52 +15591,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15720,8 +15718,8 @@ LS-scale= 4.764 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -15763,15 +15761,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -15827,52 +15825,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15954,8 +15952,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -15996,15 +15994,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -16060,52 +16058,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16187,8 +16185,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -16229,15 +16227,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16293,52 +16291,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -16349,7 +16347,7 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 Keen in P21/c Date Time - Print list type 12 serial number 12 Address 72371 Length 148 Created on + Print list type 12 serial number 12 Address 72570 Length 148 Created on 0 FULL X'S U'S 1 SUMFIX ELEMENT SCALES @@ -16446,8 +16444,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.02E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.02E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.7 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -16497,12 +16495,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.003 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -16558,52 +16556,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16685,8 +16683,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.65E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.65E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.5 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -16732,12 +16730,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.002 [03] Reversals @@ -16793,52 +16791,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16920,8 +16918,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -16965,12 +16963,12 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -17026,52 +17024,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17153,8 +17151,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17198,12 +17196,12 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -17259,52 +17257,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17386,8 +17384,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.61E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.61E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17424,15 +17422,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17488,56 +17486,57 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H #PERHYDRO 5 5 +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H12 C(3) N(2) N(4) H12 C(5) C(6) N(4) @@ -17595,7 +17594,6 @@ H33 C(9) C(1) N(2) [82] H 92.0 1.00000 1. 0.02 0.01 0.87 0.06 [82] H 93.0 1.00000 1. -0.06 0.12 0.79 0.06 List now contains 22 atoms -Bonds: Update required - List5 length change # NOW DO A FOURIER TO FIND THE H #SFLS #SPEC NO NO @@ -17753,7 +17751,6 @@ LS-scale= 4.730 Wilson Scale= 4.723 with an R.M.S. deviation of 0.04 #PEAKS List now contains 24 atoms -Bonds: Update required - List5 length change #COLL #EDIT The following atom(s) will be selected @@ -17764,7 +17761,6 @@ Bonds: Update required - List5 length change The following atom(s) will be changed H 1 List 5 now contains 23 atom(s) -Bonds: Update required - List5 length change # NOW REFINE SOME MORE. #LIST 12 #SFLS @@ -17857,8 +17853,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.50E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.50E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.18 SCALE for 92 parameters @@ -17899,12 +17895,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -17960,52 +17956,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18087,8 +18083,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.70E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.70E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.04 SCALE for 92 parameters @@ -18130,15 +18126,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -18194,52 +18190,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18321,8 +18317,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.78E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.78E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18363,15 +18359,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -18427,52 +18423,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18554,8 +18550,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18596,15 +18592,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18660,52 +18656,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18787,8 +18783,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18825,15 +18821,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18889,52 +18885,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -19282,8 +19278,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19323,12 +19319,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -19384,52 +19380,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19511,8 +19507,8 @@ LS-scale= 4.637 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19553,15 +19549,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19617,52 +19613,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19744,8 +19740,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19782,15 +19778,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19846,52 +19842,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20128,8 +20124,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20166,15 +20162,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20230,52 +20226,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20358,8 +20354,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20396,15 +20392,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20460,52 +20456,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20588,8 +20584,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20626,15 +20622,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20690,52 +20686,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20818,8 +20814,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20856,15 +20852,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20920,52 +20916,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21048,8 +21044,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21086,15 +21082,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21150,52 +21146,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21278,8 +21274,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21316,15 +21312,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21380,52 +21376,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21603,6 +21599,7 @@ LS-scale= 4.642 Wilson Scale= 4.723 Mean electron density at original atomic sites is 0.00 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -21788,7 +21785,6 @@ LS-scale= 4.642 Wilson Scale= 4.723 # HERE IS THE ATOM LIST WITH COORDS BEFORE TWIN ELEMENTS HAVE # BEEN REFINED. #LIST 5 -Bonds: Update required - List5 length change # MAKE SURE SCALE IS RIGHT. #SFLS #WEIGHT @@ -21965,8 +21961,8 @@ LS-scale= 4.646 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.30E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.30E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.0E+00 0.989E-02 1.01 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 2 @@ -22009,12 +22005,12 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.017 +[31] 0.021 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.028 0.036 +[31] 0.043 0.028 0.036 [03] Reversals @@ -22070,52 +22066,52 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.011 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22197,8 +22193,8 @@ LS-scale= 4.647 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.49 SCALE S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 1 S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 2 @@ -22245,12 +22241,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -22306,52 +22302,52 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22433,8 +22429,8 @@ LS-scale= 4.649 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.53 SCALE for 32 parameters @@ -22479,12 +22475,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -22540,52 +22536,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22667,8 +22663,8 @@ LS-scale= 4.650 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.52 SCALE for 32 parameters @@ -22713,12 +22709,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -22774,52 +22770,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22901,8 +22897,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.50 SCALE for 32 parameters @@ -22944,15 +22940,15 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -23008,52 +23004,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -23160,8 +23156,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 2. @@ -23201,12 +23197,12 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -23262,52 +23258,52 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23389,8 +23385,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.20E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.20E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23431,15 +23427,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -23495,52 +23491,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23622,8 +23618,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23664,15 +23660,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23728,52 +23724,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23855,8 +23851,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23897,15 +23893,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23961,52 +23957,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24088,8 +24084,8 @@ LS-scale= 4.656 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -24130,15 +24126,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -24194,52 +24190,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -24347,8 +24343,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.66E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.020 0.0E+00 0.21 E-02 -9.5 C 9 U[ISO] for 47 parameters @@ -24389,12 +24385,12 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.002 [70] Maximum 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.011 0.007 0.006 [03] Reversals @@ -24450,52 +24446,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 -0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24577,8 +24573,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24619,15 +24615,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.004 0.004 0.002 [03] Reversals @@ -24683,52 +24679,52 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24810,8 +24806,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.08E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.08E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24852,15 +24848,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -24916,52 +24912,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25043,8 +25039,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25085,15 +25081,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25149,52 +25145,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25276,8 +25272,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25318,15 +25314,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25382,52 +25378,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -25535,8 +25531,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.28 E-02 9.1 C 7 U[11] [14] S/ESD 60 60 -0.014 0.0E+00 0.28 E-02 -5.2 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -25587,12 +25583,12 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.006 0.003 +[31] 0.004 0.006 0.004 [03] Reversals @@ -25648,52 +25644,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25775,8 +25771,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.91E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.91E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 4.8 C 7 U[11] [14] S/ESD 78 78 0.015 0.4E+00 0.31 E-02 4.7 C 9 U[22] @@ -25822,12 +25818,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -25883,52 +25879,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26010,8 +26006,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.64E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.64E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26055,12 +26051,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -26116,52 +26112,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26243,8 +26239,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.87E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.87E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26288,12 +26284,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -26349,52 +26345,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26476,8 +26472,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.92E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.92E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26518,15 +26514,15 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -26582,56 +26578,57 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H #PERHYDRO 5 5 +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H12 C(3) N(2) N(4) H12 C(5) C(6) N(4) @@ -26689,7 +26686,6 @@ H33 C(9) C(1) N(2) [82] H 92.0 1.00000 1. 0.02 0.01 0.87 0.06 [82] H 93.0 1.00000 1. -0.06 0.12 0.78 0.06 List now contains 22 atoms -Bonds: Update required - List5 length change # NOW DO A FOURIER TO FIND THE H #SFLS #SPEC NO NO @@ -26847,7 +26843,6 @@ LS-scale= 4.660 Wilson Scale= 4.723 with an R.M.S. deviation of 0.05 #PEAKS List now contains 24 atoms -Bonds: Update required - List5 length change #COLL #EDIT The following atom(s) will be selected @@ -26858,7 +26853,6 @@ Bonds: Update required - List5 length change The following atom(s) will be changed H 1 List 5 now contains 23 atom(s) -Bonds: Update required - List5 length change # NOW REFINE SOME MORE. #LIST 12 #SFLS @@ -26951,8 +26945,8 @@ LS-scale= 4.660 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.94E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.94E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 2. @@ -26992,12 +26986,12 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.015 +[31] 0.017 0.024 0.015 [03] Reversals @@ -27053,52 +27047,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27180,8 +27174,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.15 SCALE for 92 parameters @@ -27226,12 +27220,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -27287,52 +27281,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27414,8 +27408,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.11 SCALE for 92 parameters @@ -27457,15 +27451,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27521,52 +27515,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27648,8 +27642,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.957E-02 -1.07 SCALE for 92 parameters @@ -27691,15 +27685,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27755,52 +27749,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27882,8 +27876,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.956E-02 -1.04 SCALE for 92 parameters @@ -27925,15 +27919,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27989,52 +27983,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -28386,8 +28380,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.21E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.21E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28427,12 +28421,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -28488,52 +28482,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28615,8 +28609,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.03E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.03E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28657,15 +28651,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28721,52 +28715,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28848,8 +28842,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28890,15 +28884,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28954,52 +28948,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29081,8 +29075,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29123,15 +29117,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29187,52 +29181,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29314,8 +29308,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29356,15 +29350,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29420,52 +29414,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29702,8 +29696,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29740,15 +29734,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29804,52 +29798,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29932,8 +29926,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29970,15 +29964,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30034,52 +30028,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30162,8 +30156,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30200,15 +30194,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30264,52 +30258,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30392,8 +30386,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30430,15 +30424,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30494,52 +30488,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30622,8 +30616,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30660,15 +30654,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30724,52 +30718,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30852,8 +30846,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30890,15 +30884,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30954,52 +30948,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -31178,6 +31172,7 @@ LS-scale= 4.651 Wilson Scale= 4.723 Mean electron density at original atomic sites is -0.01 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time @@ -31363,7 +31358,6 @@ LS-scale= 4.651 Wilson Scale= 4.723 # HERE IS THE ATOM LIST WITH COORDS BEFORE TWIN ELEMENTS HAVE # BEEN REFINED. #LIST 5 -Bonds: Update required - List5 length change # MAKE SURE SCALE IS RIGHT. #SFLS #WEIGHT @@ -31540,8 +31534,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.09E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.11 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -31584,12 +31578,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -31645,52 +31639,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31766,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.89E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.60 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 2 @@ -31820,12 +31814,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.008 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.004 +[31] 0.018 0.004 0.005 [03] Reversals @@ -31881,52 +31875,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32008,8 +32002,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.86E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.86E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.65 SCALE for 32 parameters @@ -32054,12 +32048,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -32115,52 +32109,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32242,8 +32236,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.43 SCALE for 32 parameters @@ -32288,12 +32282,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -32349,52 +32343,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32476,8 +32470,8 @@ LS-scale= 4.842 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -32518,15 +32512,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -32582,52 +32576,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -32734,8 +32728,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.07 SCALE for 33 parameters @@ -32773,15 +32767,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32837,52 +32831,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32964,8 +32958,8 @@ LS-scale= 4.830 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.48E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.48E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.50 SCALE for 33 parameters @@ -33007,15 +33001,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -33071,52 +33065,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33198,8 +33192,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33240,15 +33234,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33304,52 +33298,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33431,8 +33425,8 @@ LS-scale= 4.809 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33473,15 +33467,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33537,52 +33531,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33664,8 +33658,8 @@ LS-scale= 4.803 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33706,15 +33700,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33770,52 +33764,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -33923,8 +33917,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.5 C 9 U[ISO] @@ -33966,12 +33960,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.004 0.005 +[31] 0.010 0.005 0.005 [03] Reversals @@ -34027,52 +34021,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34154,8 +34148,8 @@ LS-scale= 4.780 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -34197,15 +34191,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.001 +[31] 0.004 0.003 0.001 [03] Reversals @@ -34261,52 +34255,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34388,8 +34382,8 @@ LS-scale= 4.763 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -34431,15 +34425,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -34495,52 +34489,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34622,8 +34616,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34664,15 +34658,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -34728,52 +34722,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34855,8 +34849,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34897,15 +34891,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -34961,52 +34955,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -35114,8 +35108,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.03E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.03E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.6 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -35165,12 +35159,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.004 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -35226,52 +35220,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35353,8 +35347,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.66E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.66E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.4 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -35400,12 +35394,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.003 [03] Reversals @@ -35461,52 +35455,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35588,8 +35582,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35630,15 +35624,15 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.002 0.002 0.001 [03] Reversals @@ -35694,52 +35688,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35821,8 +35815,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35863,15 +35857,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -35927,52 +35921,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36054,8 +36048,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.62E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.62E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -36092,15 +36086,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -36156,56 +36150,57 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H #PERHYDRO 5 5 +Bonds: Update required - List5 length change Per-hydrogenation of Carbon atoms H12 C(3) N(2) N(4) H12 C(5) C(6) N(4) @@ -36263,7 +36258,6 @@ H33 C(9) C(1) N(2) [82] H 92.0 1.00000 1. 0.02 0.01 0.87 0.06 [82] H 93.0 1.00000 1. -0.06 0.12 0.79 0.06 List now contains 22 atoms -Bonds: Update required - List5 length change # NOW DO A FOURIER TO FIND THE H #SFLS #SPEC NO NO @@ -36421,7 +36415,6 @@ LS-scale= 4.730 Wilson Scale= 4.723 with an R.M.S. deviation of 0.04 #PEAKS List now contains 24 atoms -Bonds: Update required - List5 length change #COLL #EDIT The following atom(s) will be selected @@ -36432,7 +36425,6 @@ Bonds: Update required - List5 length change The following atom(s) will be changed H 1 List 5 now contains 23 atom(s) -Bonds: Update required - List5 length change # NOW REFINE SOME MORE. #LIST 12 #SFLS @@ -36525,8 +36517,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.51E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 9E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.16 SCALE for 92 parameters @@ -36567,12 +36559,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -36628,52 +36620,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36755,8 +36747,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.71E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.71E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.03 SCALE for 92 parameters @@ -36798,15 +36790,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -36862,52 +36854,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36989,8 +36981,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37031,15 +37023,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37095,52 +37087,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37222,8 +37214,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37264,15 +37256,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37328,52 +37320,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37455,8 +37447,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37493,15 +37485,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37557,52 +37549,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -37950,8 +37942,8 @@ LS-scale= 4.629 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -37991,12 +37983,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -38052,52 +38044,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38179,8 +38171,8 @@ LS-scale= 4.636 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38221,15 +38213,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38285,52 +38277,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38412,8 +38404,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38450,15 +38442,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38514,52 +38506,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -38796,8 +38788,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38834,15 +38826,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38898,52 +38890,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39026,8 +39018,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39064,15 +39056,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39128,52 +39120,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39256,8 +39248,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39294,15 +39286,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39358,52 +39350,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39486,8 +39478,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39524,15 +39516,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39588,52 +39580,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39716,8 +39708,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39754,15 +39746,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39818,52 +39810,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39946,8 +39938,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39984,15 +39976,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -40048,52 +40040,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -40272,6 +40264,7 @@ LS-scale= 4.642 Wilson Scale= 4.723 Mean electron density at original atomic sites is 0.00 with an R.M.S. deviation of 0.04 #DIST +Bonds: Update required - List5 length change Keen in P21/c Date Time diff --git a/test_suite/MIN64GH.org/test3.out b/test_suite/MIN64GH.org/test3.out index 49505ae79..8c5dc708c 100644 --- a/test_suite/MIN64GH.org/test3.out +++ b/test_suite/MIN64GH.org/test3.out @@ -3555,7 +3555,6 @@ Upating List 13 for twinned data #LIST 1 #LIST 2 #LIST 5 -Bonds: Update required - There is no list 41 #PRINT 5 @@ -3700,6 +3699,9 @@ Bonds: Update required - There is no list 41 #TITLE TEST THE LIST MODIFICATION ROUTINES +#EDIT 5 5 +#BONDCALC +Bonds: Update required - There is no list 41 #EDIT 5 5 The following atom(s) will be arithmetically modified Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -3849,7 +3851,6 @@ SCAL 099.21****** 0.767 0.501 0 0.078 0.061 0.065 0.03 0.01-0.02 0.000 C 127 1.00******-3.775-0.791 0 0.04715.678 0.031-0.02 0.01 0.02 0.000 0 C 128 1.00******-3.425-0.741 0 0.04515.678 0.029-0.02 0.01 0.02 0.000 0 List 5 now contains 37 atom(s) -Bonds: Update required - List5 length change #PRINT 5 @@ -4037,7 +4038,7 @@ Bonds: Update required - List5 length change TEST THE LIST MODIFICATION ROUTINES Date Time - Print list type 10 serial number 1 Address 51303 Length 587 Created on + Print list type 10 serial number 1 Address 51044 Length 587 Created on @@ -4197,7 +4198,6 @@ Bonds: Update required - List5 length change #LIST 1 #LIST 2 #LIST 5 -Bonds: Update required - List5 length change #HYDROGEN @@ -4275,14 +4275,13 @@ Bonds: Update required - List5 length change [82] H 21.0 1.00000 1. 0.60 0.67 0.06 0.06 List now contains 39 atoms -Bonds: Update required - List5 length change #PRINT 5 BENZAM - TEST HYDROGEN PLACING ROUTINES Date Time - Print list type 5 serial number 4 Address 53020 Length 785 Created on + Print list type 5 serial number 4 Address 52377 Length 785 Created on @@ -4440,14 +4439,13 @@ Bonds: Update required - List5 length change # #LIST 2 #LIST 5 -Bonds: Update required - List5 length change #PRINT 5 BENZAM - TEST HYDROGEN PLACING ROUTINES Date Time - Print list type 5 serial number 5 Address 55031 Length 677 Created on + Print list type 5 serial number 5 Address 53535 Length 677 Created on @@ -4754,9 +4752,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.86 -2.28 1.2 0.03 -0.00 0.01 0.01 0.05 -0.04 -[35] -2.28 12.59 0.4 -0.00 0.05 -0.00 -0.03 -0.05 0.07 -[35] 1.25 0.48 1.5 0.01 -0.00 0.06 -0.01 0.02 0.03 +[35] -0.87 -2.29 1.25 0.04 -0.01 0.01 0.02 0.05 -0.05 +[35] -2.29 12.60 0.48 -0.01 0.06 -0.00 -0.03 -0.06 0.07 +[35] 1.25 0.48 1.57 0.01 -0.00 0.06 -0.01 0.02 0.04 @@ -4781,9 +4779,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.03 0.02 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 -0.03 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 -0.07 -0.06 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.03 0.03 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.01 0.02 -0.04 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 -0.07 -0.06 -0.06 @@ -4802,9 +4800,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.00 0.00 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 0.00 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 0.00 0.00 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.00 0.00 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.00 0.02 0.00 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 0.00 0.00 -0.06 @@ -4915,9 +4913,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 16.80 -4.91 -7.3 0.03 -0.00 -0.00 -0.12 -0.07 0.28 -[35] -4.91 69.40 21.5 -0.00 0.03 0.00 0.44 0.07 -0.26 -[35] -7.37 21.55 66.2 -0.00 0.00 0.05 -0.03 0.08 0.05 +[35] 16.80 -4.92 -7.38 0.03 -0.00 -0.01 -0.12 -0.08 0.29 +[35] -4.92 69.40 21.55 -0.00 0.04 0.00 0.44 0.07 -0.27 +[35] -7.38 21.55 66.20 -0.01 0.00 0.05 -0.04 0.09 0.05 @@ -4942,9 +4940,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.25 -0.15 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 -0.29 0.15 -0.19 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 -0.28 0.24 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.01 -0.07 0.26 -0.16 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 -0.29 0.15 -0.19 +[35] 0.00 0.00 90.43 0.01 -0.01 0.05 -0.28 0.24 -0.08 @@ -4963,9 +4961,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.00 0.00 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 0.00 0.15 0.00 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 0.00 0.00 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.00 -0.07 0.00 0.00 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 0.00 0.15 0.00 +[35] 0.00 0.00 90.43 0.00 -0.01 0.05 0.00 0.00 -0.08 @@ -5013,7 +5011,7 @@ for Uprime see Acta Cryst (2000). B56, 747-749 BENZAM - TEST HYDROGEN PLACING ROUTINES Date Time - Print list type 5 serial number 6 Address 56602 Length 677 Created on + Print list type 5 serial number 6 Address 54446 Length 677 Created on @@ -5329,8 +5327,8 @@ AZIMUTH = -73.48 AZIMUTH /100 = -0.7348 Transformation to crystal fractions w.r.t. centroid from best plane co-ordinates in angstrom and fractions -[31] -0.015 -0.115 -0.067 -[31] -0.111 -0.037 -0.026 +[31] -0.015 -0.116 -0.067 +[31] -0.111 -0.038 -0.026 [85] 0.00 0.03 -0.04 0.03 0.50 -0.87 @@ -5473,7 +5471,7 @@ AZIMUTH = -52.16 AZIMUTH /100 = -0.5216 [85] -0.05 0.12 -0.02 -0.46 1.03 -0.18 [85] 0.07 0.09 -0.03 0.69 0.88 -0.24 -[31] -0.004 -0.010 -0.049 +[31] -0.004 -0.010 -0.049 @@ -5546,7 +5544,7 @@ AZIMUTH = 44.42 AZIMUTH /100 = 0.4442 [85] -0.05 0.12 -0.01 -0.46 1.04 -0.09 [85] 0.07 0.09 -0.02 0.69 0.90 -0.17 -[31] -0.004 -0.006 -0.049 +[31] -0.004 -0.006 -0.050 @@ -5667,7 +5665,6 @@ AZIMUTH = 59.34 AZIMUTH /100 = 0.5934 #LIST 4 #LIST 5 #LIST 13 -Bonds: Update required - List5 length change #LIST 6 The updated reflections are now on UNIT 53 @@ -5852,8 +5849,8 @@ LS-scale= 12.394 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.44E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4.44E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4E-05 S/ESD 1 1 -1.155 0.0E+00 0.628E+00 -1.84 SCALE [14a] LARGE 2 2 -0.192 0.0E+00 0.70 E-01 -2.7 SI 1 U[11] Composite @@ -5928,15 +5925,15 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [38] Mean -0.60 0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.07 -0.00 -0.00 -0.02 -[31] 0.053 0.014 0.027 +[31] 0.054 0.014 0.027 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.08 0.02 0.11 0.00 0.01 0.03 -[31] 0.067 0.019 0.046 +[31] 0.068 0.019 0.047 [70] Maximum 1. 0.00 0.00 0.01 0.00 0.01 0.19 0.03 0.26 0.01 0.01 0.06 -[31] 0.126 0.025 0.085 +[31] 0.127 0.026 0.086 [03] Reversals @@ -5992,37 +5989,37 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [37] SI 1. 0.16 0.00 0.00 0.00 0.00 -0.17 [37] 0.00 0.00 0.00 0.00 -0.19 -0.19 -0.26 0.00 0.00 -0.09 [37] 0.00 0.00 0.00 0.00 0.07 0.07 0.13 0.00 0.00 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 0.33 0.00 0.33 0.66 0.51 -0.04 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.11 0.00 0.00 -0.02 [37] 0.00 0.00 0.00 0.02 0.02 0.02 0.04 0.00 0.00 0.01 -[31] 0.000 0.000 0.107 +[31] 0.000 0.000 0.107 [37] NA 1. 0.50 0.00 0.39 0.39 0.00 0.00 [37] 0.00 0.01 0.01 0.00 -0.02 -0.02 -0.06 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.03 -[31] 0.074 0.074 0.000 +[31] 0.075 0.075 0.000 [37] NA 2. 0.50 0.00 0.71 0.71 0.50 -0.03 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.10 0.00 0.00 -0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.071 0.071 0.000 +[31] 0.071 0.071 0.000 [37] F 1. 1.00 0.00 0.09 -0.09 0.80 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.03 0.03 0.01 -[31] 0.069 0.068 0.040 +[31] 0.069 0.068 0.040 [37] F 2. 1.00 0.00 0.44 -0.39 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.01 0.02 -[31] 0.045 0.050 0.039 +[31] 0.046 0.050 0.040 [37] F 3. 1.00 0.00 0.23 -0.25 0.32 0.01 [37] 0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.02 0.02 -[31] 0.055 0.058 0.041 +[31] 0.056 0.059 0.042 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [37] SI 1. -0.23 -0.17 -0.17 -0.19 -0.19 -0.12 @@ -6110,6 +6107,7 @@ LS-scale= 11.239 Wilson Scale= 0.000 #DISTANCES #LIST 31 #DISTANCES +Bonds: Update required - List5 length change SODIUM COMPOUND TAKEN FROM THE LITERATURE - SPACE GROUP IS P321 ! Date Time @@ -6537,7 +6535,6 @@ The slope and correlation coefficient should be small #LIST 4 #LIST 5 #LIST 13 -Bonds: Update required - List5 length change #LIST 6 The updated reflections are now on UNIT 52 @@ -6553,7 +6550,7 @@ Bonds: Update required - List5 length change P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 6 serial number 86 Address 86631 Length 7571 Created on + Print list type 6 serial number 86 Address 83491 Length 7571 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -6688,7 +6685,7 @@ Bonds: Update required - List5 length change P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 6 serial number 90 Address 94824 Length 7571 Created on + Print list type 6 serial number 90 Address 91684 Length 7571 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -6823,7 +6820,7 @@ Bonds: Update required - List5 length change P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 5 serial number 14 Address 102395 Length 137 Created on + Print list type 5 serial number 14 Address 99255 Length 137 Created on @@ -7187,21 +7184,21 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1E-06 S/ESD 1 1 0.029 0.0E+00 0.189E-01 1.52 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.4 E-02 1.4 DU[ISO] Inversion method: Automatic -Block No 2. Single precision relative error: 1.72E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.72E-07 +[80a] Block No 2. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 2 Inversion method: Automatic -Block No 3. Single precision relative error: 1.68E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.68E-07 +[80a] Block No 3. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 3 Inversion method: Automatic -Block No 4. Single precision relative error: 1.47E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.47E-07 +[80a] Block No 4. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 Block 4 [14] S/ESD 11 1 -0.022 0.0E+00 0.36 E-02 -6.3 C 1 X [14] S/ESD 13 3 0.017 0.0E+00 0.40 E-02 4.2 C 1 Z @@ -7245,12 +7242,12 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [89] -0.05 -0.03 0.00 [71] R.M.S. 0. 0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.052 0.067 +[31] 0.123 0.052 0.067 [70] Maximum 0. 0.00 0.02 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.197 0.071 0.103 +[31] 0.197 0.071 0.103 [03] Reversals @@ -7297,17 +7294,17 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [37] S 1. 1.00 1.00 0.16 0.02 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.007 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.015 +[31] 0.019 0.018 0.015 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.03 [73] 0.00 -0.01 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.029 0.024 +[31] 0.031 0.029 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -7422,12 +7419,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.015 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.021 0.019 +[31] 0.030 0.021 0.020 [03] Reversals @@ -7474,17 +7471,17 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] S 1. 1.00 1.00 0.16 0.02 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.009 +[31] 0.012 0.012 0.010 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.018 0.015 +[31] 0.020 0.019 0.016 [84] Mean C-C su = 0.01 #CYCLENDS #PRINT 6 @@ -7493,7 +7490,7 @@ Inter cycle Rw -5.0 5.2 0.10E+03 P2S1C TEST DECK - TAKEN FROM XRAY Date Time - Print list type 6 serial number 96 Address 94824 Length 7571 Created on + Print list type 6 serial number 96 Address 91684 Length 7571 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -7633,7 +7630,6 @@ Inter cycle Rw -5.0 5.2 0.10E+03 735 reflections accepted 0 reflections rejected #LIST 5 #LIST 12 -Bonds: Update required - List5 length change #LIST 23 #SFLS #LIST 26 @@ -7731,8 +7727,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.23E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.23E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -7769,15 +7765,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.001 0.003 0.000 +[31] 0.001 0.003 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.000 +[31] 0.002 0.005 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.007 0.001 +[31] 0.003 0.007 0.001 [03] Reversals @@ -7822,22 +7818,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] B 2. 1.00 0.00 -0.18 -0.11 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 5 @@ -7967,8 +7963,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.09E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.09E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -8005,15 +8001,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.004 0.002 0.001 [03] Reversals @@ -8058,22 +8054,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.005 [37] B 2. 1.00 0.00 -0.18 -0.12 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.003 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK @@ -8111,7 +8107,7 @@ ___________ HEXACHLOROBORAZINE - LIST INPUT Date Time - Print list type 11 serial number 20 Address 129815 Length 809 Created on + Print list type 11 serial number 20 Address 126543 Length 809 Created on Inverse matrix @@ -8162,7 +8158,7 @@ ___________ HEXACHLOROBORAZINE - LIST INPUT Date Time - Print list type 11 serial number 20 Address 129815 Length 809 Created on + Print list type 11 serial number 20 Address 126543 Length 809 Created on Print List 11 as correlation matrix @@ -8253,7 +8249,7 @@ ___________ HEXACHLOROBORAZINE - LIST INPUT Date Time - Print list type 11 serial number 20 Address 129815 Length 809 Created on + Print list type 11 serial number 20 Address 126543 Length 809 Created on Inverse matrix @@ -8430,7 +8426,6 @@ ___________ 92 reflections accepted 0 reflections rejected #LIST 5 -Bonds: Update required - List5 length change #LIST 12 #CLEAR 16 #LIST 16 @@ -8443,7 +8438,7 @@ Bonds: Update required - List5 length change P6122 TEST DECK FROM LARSON - MUCH MODIFIED FOR CRYSTALS Date Time - Print list type 5 serial number 30 Address 135041 Length 150 Created on + Print list type 5 serial number 30 Address 131725 Length 150 Created on @@ -8622,7 +8617,7 @@ LS-scale= 1.000 Wilson Scale= 0.000 P6122 TEST DECK FROM LARSON - MUCH MODIFIED FOR CRYSTALS Date Time - Print list type 6 serial number 118 Address 134330 Length 711 Created on + Print list type 6 serial number 118 Address 131014 Length 711 Created on Quantity Minimum Maximum Mean value R.M.S. value @@ -8839,124 +8834,14 @@ LS-scale= 1.000 Wilson Scale= 0.000 4 * -4 -8 -9 -7 -4 -1 5 * -9 -7 -1 4 5 3 -# TRIAL ALMOST CERTAINLY DOES NOT WORK -#TRIAL - - - - Structure factors end after 12 reflection(s) - - - - Scale factor 0.184E-01 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 0 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 1 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 2 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 3 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 4 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 5 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 6 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 7 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 8 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 9 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 - - 10 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 - - 11 * 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 - - 12 * 179 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 1 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 1 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 2 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 3 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 4 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 5 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 6 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 7 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 8 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 9 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 10 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 - - 11 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 - - 12 * 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 2 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 145 - - 1 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 2 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 3 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 4 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 5 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 6 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 7 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 8 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 9 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 107 159 - - 10 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 107 - - 11 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 - - 12 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 +# \ TRIAL ALMOST CERTAINLY DOES NOT WORK +# \TRIAL +# MAP /FO/-MIN= 45 +# DISPLACEMENT .1 -.2 .3 +# DOWN 13 0 .02 0 +# ACROSS 26 .02 0 0 +# THROUGH 3 0 0 -.1 +# END #END diff --git a/test_suite/MIN64GH.org/tls.out b/test_suite/MIN64GH.org/tls.out index 294510644..e6759751b 100644 --- a/test_suite/MIN64GH.org/tls.out +++ b/test_suite/MIN64GH.org/tls.out @@ -44,7 +44,6 @@ Space group symbol is P 21 21 21 # # COORDINATES TAKEN FROM PARTIAL REFINEMENT DONE ELSEWHERE. # -Bonds: Update required - There is no list 41 #LIST 4 # WEISSENBERG DIFFRACTOMETER. #LIST 13 @@ -310,6 +309,9 @@ Fsq/sigma(Fsq) No. % Total Remainder Distribution of sigma levels. #CLEAR 17 #LIST 17 #LIST 26 +#BONDCALC +Bonds: Update required - There is no list 41 +#LIST 26 #WEIGHT LIST 4 weighting type is 1/FO #SFLS @@ -469,8 +471,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -511,12 +513,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -561,57 +563,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -693,8 +695,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -738,12 +740,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -788,57 +790,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -920,8 +922,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -965,12 +967,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -1015,57 +1017,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1162,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -1203,12 +1205,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -1253,57 +1255,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1385,8 +1387,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1430,12 +1432,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -1480,57 +1482,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1612,8 +1614,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1657,12 +1659,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -1707,57 +1709,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1839,8 +1841,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1879,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1930,57 +1932,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2079,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -2132,15 +2134,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2185,57 +2187,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2317,8 +2319,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -2363,15 +2365,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2416,57 +2418,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2511,7 +2513,6 @@ H23 C(11) C(10) C(1) [82] H 111.0 1.00000 1. 1.26 -0.06 0.18 0.06 [82] H 112.0 1.00000 1. 1.14 -0.04 0.09 0.06 List now contains 21 atoms -Bonds: Update required - List5 length change #SFLS #SPEC NO NO #CALCULAT 1 @@ -2680,7 +2681,6 @@ LS-scale= 1.687 Wilson Scale= 0.000 [91] C 11. Q 2. 0.352 Deleted 3.8 List now contains 25 atoms -Bonds: Update required - List5 length change #EDIT The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -2697,11 +2697,11 @@ Bonds: Update required - List5 length change H 91 H 92 H 93 H 101 H 102 H 111 H 112 H 1 List 5 now contains 22 atom(s) -Bonds: Update required - List5 length change #LIST 12 #DISTANCE #LIST 31 #DISTANCE +Bonds: Update required - List5 length change Cyclo in P 21 21 21 Date Time @@ -2971,8 +2971,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -3011,15 +3011,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -3064,57 +3064,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3196,8 +3196,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3238,15 +3238,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -3291,57 +3291,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3423,8 +3423,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3468,12 +3468,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -3518,57 +3518,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -3663,8 +3663,8 @@ LS-scale= 1.591 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.25E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 32 32 0.029 0.0E+00 0.42 E-02 6.9 C 4 U[11] [14] S/ESD 33 33 -0.017 0.0E+00 0.38 E-02 -4.5 C 4 U[22] [14] S/ESD 37 37 0.011 0.0E+00 0.40 E-02 2.7 C 4 U[12] @@ -3709,12 +3709,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.00 0.00 0.01 -[31] 0.004 0.003 0.007 +[31] 0.004 0.003 0.007 [03] Reversals @@ -3759,57 +3759,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.006 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3892,8 +3892,8 @@ LS-scale= 1.583 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.29E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.29E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -3933,12 +3933,12 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [03] Reversals @@ -3983,57 +3983,57 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.005 0.006 +[31] 0.009 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4116,8 +4116,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4154,15 +4154,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4207,57 +4207,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4340,8 +4340,8 @@ LS-scale= 1.586 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4378,15 +4378,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4431,57 +4431,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #ANISO @@ -4505,9 +4505,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 14.35 -20.88 7.8 0.03 -0.00 0.00 -0.02 0.09 0.02 -[35] -20.88 55.18 -12.7 -0.00 0.03 -0.00 -0.29 0.08 -0.12 -[35] 7.83 -12.75 22.1 0.00 -0.00 0.03 -0.16 0.07 -0.06 +[35] 14.35 -20.89 7.84 0.03 -0.00 0.00 -0.03 0.10 0.03 +[35] -20.89 55.19 -12.75 -0.00 0.03 -0.00 -0.30 0.09 -0.12 +[35] 7.84 -12.75 22.13 0.00 -0.00 0.03 -0.16 0.07 -0.06 @@ -4532,9 +4532,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.03 0.00 0.00 -0.05 -0.02 0.13 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.18 -0.06 -0.21 -[35] 0.00 0.00 68.6 0.00 0.00 0.03 -0.16 0.09 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 -0.03 0.13 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.18 -0.07 -0.22 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 -0.16 0.10 0.12 @@ -4553,9 +4553,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.00 -0.06 0.00 -[35] 0.00 0.00 68.6 0.00 0.00 0.02 0.00 0.00 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 0.00 0.00 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.00 -0.07 0.00 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 0.00 0.00 0.12 @@ -4599,7 +4599,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 3 Address 83583 Length 234 Created on + Print list type 20 serial number 3 Address 82589 Length 234 Created on @@ -4740,9 +4740,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.96 0.39 -3.9 0.02 0.00 -0.00 0.00 -0.00 -0.15 -[35] 0.39 11.22 5.8 0.00 0.03 0.00 0.07 0.10 -0.10 -[35] -3.92 5.88 19.0 -0.00 0.00 0.03 0.14 0.39 -0.10 +[35] 4.97 0.39 -3.92 0.02 0.00 -0.00 0.00 -0.01 -0.15 +[35] 0.39 11.22 5.88 0.00 0.03 0.00 0.08 0.11 -0.11 +[35] -3.92 5.88 19.07 -0.00 0.00 0.03 0.14 0.40 -0.11 @@ -4767,9 +4767,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 -0.00 0.00 -0.05 0.13 -0.08 -[35] 0.00 9.05 0.0 -0.00 0.03 -0.00 -0.00 0.00 -0.12 -[35] 0.00 0.00 22.8 0.00 -0.00 0.03 -0.01 0.44 0.04 +[35] 3.37 0.00 0.00 0.02 -0.00 0.00 -0.05 0.14 -0.09 +[35] 0.00 9.06 0.00 -0.00 0.03 -0.00 -0.01 0.01 -0.13 +[35] 0.00 0.00 22.83 0.00 -0.00 0.03 -0.01 0.44 0.04 @@ -4788,9 +4788,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 9.05 0.0 0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 22.8 0.00 0.00 0.02 0.00 0.00 0.04 +[35] 3.37 0.00 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 +[35] 0.00 9.06 0.00 0.00 0.02 0.00 0.00 0.01 0.00 +[35] 0.00 0.00 22.83 0.00 0.00 0.03 0.00 0.00 0.04 @@ -4831,7 +4831,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 4 Address 83817 Length 234 Created on + Print list type 20 serial number 4 Address 82823 Length 234 Created on @@ -4972,9 +4972,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.47 0.60 -1.2 0.02 0.00 0.00 0.02 0.06 -0.08 -[35] 0.60 11.29 6.5 0.00 0.02 -0.00 -0.05 0.01 -0.03 -[35] -1.29 6.59 15.0 0.00 -0.00 0.03 0.02 0.18 -0.04 +[35] 4.48 0.61 -1.30 0.02 0.00 0.00 0.02 0.06 -0.08 +[35] 0.61 11.30 6.60 0.00 0.03 -0.00 -0.06 0.02 -0.03 +[35] -1.30 6.60 15.03 0.00 -0.00 0.03 0.02 0.18 -0.04 @@ -4999,9 +4999,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.13 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 -0.03 -0.03 -0.06 -[35] 0.00 0.00 20.0 0.00 -0.00 0.03 -0.08 0.13 0.05 +[35] 3.81 0.00 0.00 0.03 -0.00 0.00 -0.01 0.13 0.00 +[35] 0.00 6.95 0.00 -0.00 0.03 -0.00 -0.03 -0.04 -0.06 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 -0.08 0.13 0.05 @@ -5020,9 +5020,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.00 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 0.00 -0.03 0.00 -[35] 0.00 0.00 20.0 0.00 -0.00 0.02 0.00 0.00 0.05 +[35] 3.81 0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 +[35] 0.00 6.95 0.00 -0.00 0.02 -0.00 0.00 -0.04 0.00 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 0.00 0.00 0.05 @@ -5066,7 +5066,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 5 Address 84051 Length 234 Created on + Print list type 20 serial number 5 Address 83057 Length 234 Created on @@ -5207,9 +5207,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.18 0.61 1.7 0.02 0.00 -0.00 0.04 0.03 -0.06 -[35] 0.61 12.54 0.0 0.00 0.02 -0.00 -0.20 -0.00 0.04 -[35] 1.75 0.03 15.1 -0.00 -0.00 0.03 -0.15 0.02 -0.03 +[35] 4.19 0.61 1.75 0.03 0.00 -0.00 0.04 0.04 -0.07 +[35] 0.61 12.54 0.04 0.00 0.03 -0.00 -0.20 -0.01 0.04 +[35] 1.75 0.04 15.15 -0.00 -0.00 0.03 -0.15 0.03 -0.03 @@ -5234,9 +5234,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 0.00 -0.00 0.08 0.04 -0.05 -[35] 0.00 12.57 0.0 0.00 0.02 -0.00 -0.19 -0.02 0.01 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 -0.14 0.02 -0.06 +[35] 3.87 0.00 0.00 0.03 0.00 -0.00 0.09 0.04 -0.05 +[35] 0.00 12.58 0.00 0.00 0.03 -0.00 -0.20 -0.02 0.01 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 -0.15 0.03 -0.06 @@ -5255,9 +5255,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 -0.00 -0.00 0.08 0.00 0.00 -[35] 0.00 12.57 0.0 -0.00 0.02 -0.00 0.00 -0.02 0.00 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 0.00 0.00 -0.06 +[35] 3.87 0.00 0.00 0.02 -0.00 -0.00 0.09 0.00 0.00 +[35] 0.00 12.58 0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 0.00 0.00 -0.06 @@ -5313,7 +5313,7 @@ All cycle Rw 0.0 20. 0.10E+03 Cyclo in P 21 21 21 Date Time - Print list type 20 serial number 6 Address 84285 Length 234 Created on + Print list type 20 serial number 6 Address 83291 Length 234 Created on diff --git a/test_suite/MIN64GH.org/twin2.out b/test_suite/MIN64GH.org/twin2.out index 885066b9b..588cace30 100644 --- a/test_suite/MIN64GH.org/twin2.out +++ b/test_suite/MIN64GH.org/twin2.out @@ -10,7 +10,9 @@ #LIST 4 #LIST 5 #EDIT +#BONDCALC Bonds: Update required - There is no list 41 +#EDIT #LIST 13 The following atom(s) will be changed Occ x y z U11 U22 U33 U23 U13 U12 Spare Part @@ -202,8 +204,8 @@ LS-scale= 10.008 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.55E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 5.55E-05 +[80a] Block No 1. Single precision relative error: 6E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 6E-05 S/ESD 1 1 -0.094 0.0E+00 0.485E-01 -1.95 SCALE Composite @@ -274,12 +276,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.006 0.009 +[31] 0.012 0.006 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.009 0.017 +[31] 0.018 0.009 0.017 [03] Reversals @@ -335,37 +337,37 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.000 0.005 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.005 0.005 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.004 0.004 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.005 +[31] 0.009 0.009 0.005 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.005 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.005 +[31] 0.008 0.008 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC NO NO @@ -1240,8 +1242,8 @@ LS-scale= 9.913 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.17E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.17E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 S/ESD 1 1 -0.069 0.7E+00 0.517E-01 -1.33 SCALE Composite @@ -1290,12 +1292,12 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.001 +[31] 0.005 0.004 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.002 +[31] 0.009 0.006 0.002 [03] Reversals @@ -1351,37 +1353,37 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1470,8 +1472,8 @@ LS-scale= 9.844 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.35E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.35E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 for 44 parameters [64] The rms (shift/su) = 0. @@ -1515,12 +1517,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -1576,37 +1578,37 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.003 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #FINI diff --git a/test_suite/MIN64GHGUI.org/absorb.out b/test_suite/MIN64GHGUI.org/absorb.out index 73a93639c..36dac68bf 100644 --- a/test_suite/MIN64GHGUI.org/absorb.out +++ b/test_suite/MIN64GHGUI.org/absorb.out @@ -16,7 +16,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -48,16 +48,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 53 @@ -115,16 +115,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 -0.58 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.68 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 1.04 2.35 -[35] 1.87 0.00 0.0 0.00 0.00 0.00 0.00 0.10 103.68 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 0.18 1.44 -[35] 1.23 0.00 0.0 0.00 0.00 0.00 0.00 0.06 67.05 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 -0.59 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.68 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 1.05 2.35 +[35] 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.11 103.69 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 0.18 1.45 +[35] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.07 67.05 The updated reflections are now on UNIT 52 @@ -145,7 +145,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.079 -0.093 [89] -0.09 0.02 -0.10 @@ -177,16 +177,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 129.91 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.16 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.65 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.05 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 129.91 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.65 The updated reflections are now on UNIT 53 @@ -208,7 +208,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -233,16 +233,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.2 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 1.3 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 52 @@ -259,7 +259,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -286,16 +286,16 @@ -4. -2. -1. Excessive shape correction Inclinations 0.045 0.388 0.040 Correction 5.088 -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 0.00 0.00 4.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 0.00 0.00 3.8 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 0.00 0.00 1.4 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 0.00 0.00 1.6 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 0.00 0.00 2.4 0.00 0.00 0.00 0.00 0.00 0.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 The updated reflections are now on UNIT 53 @@ -309,7 +309,7 @@ Orientation matrix -[31] 0.005 -0.079 -0.093 +[31] 0.006 -0.080 -0.093 [89] -0.09 0.02 -0.10 @@ -341,16 +341,16 @@ A scale of 1.00000 has been assumed -[35] -4.00 -2.00 -1.0 11217.00 100.00 0.21 0.21 3.73 -0.48 -[35] 2.40 0.00 0.0 0.00 0.00 0.00 0.00 0.17 78.69 -[35] 1.00 3.00 2.0 11999.00 100.00 0.21 0.21 2.49 2.04 -[35] 1.31 0.00 0.0 0.00 0.00 0.00 0.00 0.17 130.00 -[35] 1.00 1.00 -1.0 13356.00 100.00 0.06 0.06 1.76 -0.55 -[35] 2.15 0.00 0.0 0.00 0.00 0.00 0.00 0.01 35.70 -[35] 1.00 1.00 -1.0 23639.00 100.00 0.06 0.19 1.71 -1.26 -[35] 1.03 0.00 0.0 0.00 0.00 0.00 0.00 0.01 75.22 -[35] 1.00 1.00 -1.0 5331.00 100.00 0.06 0.55 1.47 -2.64 -[35] 4.33 0.00 0.0 0.00 0.00 0.00 0.00 0.00 18.00 +[35] -4.00 -2.00 -1.00 11217.00 100.00 0.21 0.21 3.73 -0.48 +[35] 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.18 78.69 +[35] 1.00 3.00 2.00 11999.00 100.00 0.21 0.21 2.50 2.04 +[35] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.17 130.00 +[35] 1.00 1.00 -1.00 13356.00 100.00 0.07 0.07 1.76 -0.56 +[35] 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 35.70 +[35] 1.00 1.00 -1.00 23639.00 100.00 0.07 0.20 1.72 -1.26 +[35] 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.01 75.23 +[35] 1.00 1.00 -1.00 5331.00 100.00 0.07 0.55 1.47 -2.64 +[35] 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.01 18.00 The updated reflections are now on UNIT 52 diff --git a/test_suite/MIN64GHGUI.org/amp.out b/test_suite/MIN64GHGUI.org/amp.out index 89007043f..2d5c48744 100644 --- a/test_suite/MIN64GHGUI.org/amp.out +++ b/test_suite/MIN64GHGUI.org/amp.out @@ -469,8 +469,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +510,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +560,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +692,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +737,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +787,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +919,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +957,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1010,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1155,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1199,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1249,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1381,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1426,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1476,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1608,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1653,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1703,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1835,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1877,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1930,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2077,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2130,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2183,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2315,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2361,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2414,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GHGUI.org/batch.out b/test_suite/MIN64GHGUI.org/batch.out index e3f52901c..747a9d161 100644 --- a/test_suite/MIN64GHGUI.org/batch.out +++ b/test_suite/MIN64GHGUI.org/batch.out @@ -242,8 +242,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -283,12 +283,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -344,57 +344,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -476,8 +476,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -518,15 +518,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.004 [03] Reversals @@ -582,57 +582,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -714,8 +714,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.19E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.19E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -756,15 +756,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -820,57 +820,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -953,8 +953,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.15E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.15E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -991,15 +991,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1055,57 +1055,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1199,8 +1199,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.19 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -1242,12 +1242,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -1303,57 +1303,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1435,8 +1435,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -1481,12 +1481,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -1542,57 +1542,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1674,8 +1674,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1716,15 +1716,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -1780,57 +1780,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1913,8 +1913,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1951,15 +1951,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2015,57 +2015,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2160,8 +2160,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.79 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -2213,12 +2213,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -2274,57 +2274,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2406,8 +2406,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.38 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -2450,15 +2450,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -2514,57 +2514,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2646,8 +2646,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2691,12 +2691,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -2752,57 +2752,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2885,8 +2885,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -2926,12 +2926,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -2987,57 +2987,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3290,8 +3290,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -3330,15 +3330,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3471,8 +3471,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -3515,15 +3515,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3656,8 +3656,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3698,15 +3698,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3910,8 +3910,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -3948,15 +3948,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4153,8 +4153,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -4193,15 +4193,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4334,8 +4334,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4376,15 +4376,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4517,8 +4517,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -4555,15 +4555,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4772,8 +4772,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -4813,15 +4813,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4954,8 +4954,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -4998,15 +4998,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5139,8 +5139,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -5181,15 +5181,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5408,8 +5408,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5449,12 +5449,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -5510,57 +5510,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5642,8 +5642,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5684,15 +5684,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5748,57 +5748,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5880,8 +5880,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.55E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.55E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -5922,15 +5922,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -5986,57 +5986,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -6201,8 +6201,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.54E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -6239,15 +6239,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -6303,57 +6303,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -6448,8 +6448,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -6491,15 +6491,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -6555,57 +6555,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -6687,8 +6687,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -6732,12 +6732,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.024 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -6793,57 +6793,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6925,8 +6925,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -6967,15 +6967,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -7031,57 +7031,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -7246,8 +7246,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -7284,15 +7284,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7348,57 +7348,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7493,8 +7493,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.139E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.7 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.2 O 3 U[22] @@ -7547,12 +7547,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.009 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.02 -[31] 0.016 0.006 0.010 +[31] 0.016 0.007 0.010 [03] Reversals @@ -7608,57 +7608,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.17 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7740,8 +7740,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.62 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.5 C 4 U[11] @@ -7784,15 +7784,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [03] Reversals @@ -7848,57 +7848,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7980,8 +7980,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8025,12 +8025,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -8086,57 +8086,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -8301,8 +8301,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -8339,15 +8339,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -8403,57 +8403,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -8690,8 +8690,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.42E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.42E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 1. @@ -8731,12 +8731,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.019 0.013 +[31] 0.009 0.019 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.028 0.029 +[31] 0.021 0.029 0.029 [03] Reversals @@ -8792,57 +8792,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8924,8 +8924,8 @@ LS-scale= 1.495 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.24E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.24E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -8966,15 +8966,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.008 0.005 [03] Reversals @@ -9030,57 +9030,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9162,8 +9162,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9204,15 +9204,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9268,57 +9268,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -9401,8 +9401,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.20E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7.20E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+00 rel. error: 7E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -9439,15 +9439,15 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -9503,57 +9503,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9647,8 +9647,8 @@ LS-scale= 1.496 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.17E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.17E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.109 0.0E+00 0.176E-01 6.18 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.16 E-02 10.3 O 5 U[ISO] @@ -9690,12 +9690,12 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.004 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [03] Reversals @@ -9751,57 +9751,57 @@ All cycle Min function 0.0 0.26E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.010 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9883,8 +9883,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.22E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.22E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.016 0.1E+00 0.154E-01 1.05 SCALE for 45 parameters @@ -9929,12 +9929,12 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [03] Reversals @@ -9990,57 +9990,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10122,8 +10122,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.24E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.24E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10164,15 +10164,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -10228,57 +10228,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10361,8 +10361,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.25E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.25E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -10399,15 +10399,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10463,57 +10463,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -10608,8 +10608,8 @@ LS-scale= 1.622 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.31E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.31E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.031 0.0E+00 0.172E-01 1.80 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.42 E-02 5.3 O 3 U[11] [14] S/ESD 24 24 -0.011 0.0E+00 0.38 E-02 -2.9 O 3 U[22] @@ -10661,12 +10661,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.01 0.02 -[31] 0.017 0.007 0.008 +[31] 0.018 0.007 0.008 [03] Reversals @@ -10722,57 +10722,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.010 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10854,8 +10854,8 @@ LS-scale= 1.653 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.55E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.55E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.018 0.6E+00 0.130E-01 1.37 SCALE [14] S/ESD 32 32 0.012 0.4E+00 0.65 E-02 1.8 C 4 U[11] @@ -10898,15 +10898,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.002 +[31] 0.006 0.007 0.003 [03] Reversals @@ -10962,57 +10962,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.010 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11094,8 +11094,8 @@ LS-scale= 1.671 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.56E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.56E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11139,12 +11139,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.003 0.001 0.004 [03] Reversals @@ -11200,57 +11200,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11333,8 +11333,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.57E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.57E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -11374,12 +11374,12 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [03] Reversals @@ -11435,57 +11435,57 @@ All cycle Min function 0.0 0.87E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.008 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.004 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.007 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -11738,8 +11738,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 1 [13] LARGE 1 1 0.6 0.0E+00 0.2 E-01 27.1 BATCH 2 @@ -11778,15 +11778,15 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [38] Mean 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11919,8 +11919,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 1 S/ESD 1 1 0.102 0.1E+00 0.136E-01 7.51 BATCH 2 @@ -11963,15 +11963,15 @@ Inter cycle Rw -5.0 36. 0.10E+03 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12104,8 +12104,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12146,15 +12146,15 @@ All cycle Min function 0.0 0.16E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12358,8 +12358,8 @@ LS-scale= 0.978 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12396,15 +12396,15 @@ All cycle Rw 0.0 36. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12601,8 +12601,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 1 [13] LARGE 1 1 -0.1 -0.1E+04 0.9 E-02 -16.2 BATCH 2 @@ -12641,15 +12641,15 @@ All cycle Min function 0.0 0.12E+05 0.10E+16 [38] Mean -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12782,8 +12782,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -12824,15 +12824,15 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12965,8 +12965,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -13003,15 +13003,15 @@ All cycle Rw 0.0 27. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13220,8 +13220,8 @@ LS-scale= 1.423 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 0.4 0.0E+00 0.1 E-01 24.8 SCALE [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 1 [13] LARGE 2 2 -0.3 0.0E+00 0.9 E-02 -30.7 BATCH 2 @@ -13261,15 +13261,15 @@ All cycle Min function 0.0 0.65E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13402,8 +13402,8 @@ LS-scale= 1.832 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.91E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.91E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 1 S/ESD 2 2 0.064 -0.2E+00 0.326E-02 19.66 BATCH 2 @@ -13446,15 +13446,15 @@ Inter cycle Rw -5.0 9.6 0.10E+03 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13587,8 +13587,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.99E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.99E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -13629,15 +13629,15 @@ Inter cycle Rw -5.0 4.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13856,8 +13856,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.51E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -13897,12 +13897,12 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.001 0.002 [03] Reversals @@ -13958,57 +13958,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14090,8 +14090,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.53E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.53E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14132,15 +14132,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14196,57 +14196,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14328,8 +14328,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14370,15 +14370,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14434,57 +14434,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14649,8 +14649,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.52E-07 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 8.52E-07 +[80a] Block No 1. Single precision relative error: 9E-07 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 7E+00 rel. error: 9E-07 for 35 parameters [64] The rms (shift/su) = 0. @@ -14687,15 +14687,15 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -14751,57 +14751,57 @@ All cycle Min function 0.0 0.88E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -14896,8 +14896,8 @@ LS-scale= 1.840 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 10E+01 rel. error: 1E-05 S/ESD 1 1 -0.059 0.0E+00 0.214E-01 -2.74 SCALE [14] S/ESD 13 13 -0.027 0.0E+00 0.26 E-02 -10.4 O 3 U[ISO] [14a] LARGE 17 17 -0.058 0.0E+00 0.56 E-02 -10.3 C 4 U[ISO] @@ -14939,15 +14939,15 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [38] Mean -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.001 +[31] 0.001 0.002 0.002 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.010 +[31] 0.009 0.014 0.010 [70] Maximum 0. 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.040 0.022 +[31] 0.015 0.041 0.023 [03] Reversals @@ -15003,57 +15003,57 @@ All cycle Min function 0.0 0.41E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.020 +[31] 0.018 0.020 0.020 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.03 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -15135,8 +15135,8 @@ LS-scale= 1.781 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.04E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.04E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 1. @@ -15180,12 +15180,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.011 0.004 +[31] 0.003 0.011 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.025 0.009 +[31] 0.005 0.025 0.009 [03] Reversals @@ -15241,57 +15241,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15373,8 +15373,8 @@ LS-scale= 1.790 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15415,15 +15415,15 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.002 [03] Reversals @@ -15479,57 +15479,57 @@ Inter cycle R-factor -5.0 1.4 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -15694,8 +15694,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.06E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.06E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -15732,15 +15732,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -15796,57 +15796,57 @@ All cycle Rw 0.0 12. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15941,8 +15941,8 @@ LS-scale= 1.791 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.030 0.0E+00 0.140E-01 2.18 SCALE [14] S/ESD 23 23 0.022 0.0E+00 0.28 E-02 7.8 O 3 U[11] [14] S/ESD 24 24 -0.013 0.0E+00 0.26 E-02 -5.1 O 3 U[22] @@ -15997,12 +15997,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.003 0.004 +[31] 0.009 0.004 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.017 0.005 0.007 +[31] 0.017 0.006 0.007 [03] Reversals @@ -16058,57 +16058,57 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 6. 1.00 0.00 0.95 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16190,8 +16190,8 @@ LS-scale= 1.821 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.93E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.6E+00 0.105E-01 1.63 SCALE [14] S/ESD 32 32 0.011 0.4E+00 0.44 E-02 2.6 C 4 U[11] @@ -16234,15 +16234,15 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [38] Mean 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.001 +[31] -0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.007 0.004 +[31] 0.004 0.007 0.005 [03] Reversals @@ -16298,57 +16298,57 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16430,8 +16430,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16475,12 +16475,12 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -16536,57 +16536,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -16751,8 +16751,8 @@ LS-scale= 1.841 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -16789,15 +16789,15 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.001 0.003 0.003 [03] Reversals @@ -16853,57 +16853,57 @@ All cycle Min function 0.0 0.89E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.03 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -17140,8 +17140,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -17179,15 +17179,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -17243,57 +17243,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17375,8 +17375,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17417,15 +17417,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -17481,57 +17481,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -17613,8 +17613,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17658,12 +17658,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -17719,57 +17719,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -17852,8 +17852,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -17890,15 +17890,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -17954,57 +17954,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -18098,8 +18098,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -18142,12 +18142,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -18203,57 +18203,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18335,8 +18335,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -18381,12 +18381,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -18442,57 +18442,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -18574,8 +18574,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18619,12 +18619,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -18680,57 +18680,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -18813,8 +18813,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -18854,12 +18854,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -18915,57 +18915,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -19060,8 +19060,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.41 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -19120,12 +19120,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -19181,57 +19181,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -19313,8 +19313,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.435E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -19360,12 +19360,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -19421,57 +19421,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19553,8 +19553,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19598,12 +19598,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -19659,57 +19659,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19792,8 +19792,8 @@ LS-scale= 1.658 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -19833,12 +19833,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -19894,57 +19894,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -20192,8 +20192,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -20232,15 +20232,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20368,8 +20368,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -20412,15 +20412,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20548,8 +20548,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -20592,15 +20592,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20799,8 +20799,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -20839,15 +20839,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21036,8 +21036,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -21076,15 +21076,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21217,8 +21217,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21259,15 +21259,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21400,8 +21400,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -21442,15 +21442,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21659,8 +21659,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.406E-02 -8.95 BATCH 2 @@ -21700,15 +21700,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21841,8 +21841,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.95E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.88 SCALE for 2 parameters @@ -21884,15 +21884,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22025,8 +22025,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -22067,15 +22067,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22294,8 +22294,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22335,12 +22335,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -22396,57 +22396,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22528,8 +22528,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22566,15 +22566,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22630,57 +22630,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -22845,8 +22845,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -22883,15 +22883,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -22947,57 +22947,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -23092,8 +23092,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.9 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -23138,12 +23138,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -23199,57 +23199,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -23331,8 +23331,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -23377,12 +23377,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -23438,57 +23438,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23570,8 +23570,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23615,12 +23615,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -23676,57 +23676,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -23891,8 +23891,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -23929,15 +23929,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -23993,57 +23993,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -24138,8 +24138,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -24198,12 +24198,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -24259,57 +24259,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24391,8 +24391,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -24438,12 +24438,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -24499,57 +24499,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24631,8 +24631,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24676,12 +24676,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -24737,57 +24737,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -24952,8 +24952,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -24993,12 +24993,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -25054,57 +25054,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -25342,8 +25342,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.12E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2.12E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 0.039 0.0E+00 0.322E-01 1.20 SCALE for 34 parameters @@ -25381,15 +25381,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.022 0.019 +[31] 0.011 0.023 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.035 0.039 +[31] 0.021 0.035 0.040 [03] Reversals @@ -25445,57 +25445,57 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.017 0.016 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.014 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.011 0.010 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.012 +[31] 0.014 0.015 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25577,8 +25577,8 @@ LS-scale= 1.449 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25619,15 +25619,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.000 0.002 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.004 0.009 0.008 [03] Reversals @@ -25683,57 +25683,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -25815,8 +25815,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.36E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -25860,12 +25860,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -25921,57 +25921,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -26054,8 +26054,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.33E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 34 parameters [64] The rms (shift/su) = 0. @@ -26092,15 +26092,15 @@ All cycle Rw 0.0 29. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -26156,57 +26156,57 @@ All cycle Rw 0.0 29. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -26300,8 +26300,8 @@ LS-scale= 1.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.71E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.71E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.8 SCALE [14] S/ESD 21 21 0.016 0.0E+00 0.16 E-02 9.6 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.26 E-02 -3.9 N 6 U[ISO] @@ -26344,12 +26344,12 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.012 0.015 [03] Reversals @@ -26405,57 +26405,57 @@ All cycle Min function 0.0 0.27E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.012 0.011 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.016 0.014 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.010 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.012 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.014 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26537,8 +26537,8 @@ LS-scale= 1.570 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.40E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.40E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 0.101 0.3E+00 0.489E-01 2.06 SCALE for 45 parameters @@ -26583,12 +26583,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.006 0.005 0.006 [03] Reversals @@ -26644,57 +26644,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -26776,8 +26776,8 @@ LS-scale= 1.601 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.56E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.56E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -26821,12 +26821,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -26882,57 +26882,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -27015,8 +27015,8 @@ LS-scale= 1.606 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.58E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.58E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 9E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -27056,12 +27056,12 @@ All cycle Rw 0.0 23. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -27117,57 +27117,57 @@ All cycle Rw 0.0 23. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.011 0.013 0.012 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -27262,8 +27262,8 @@ LS-scale= 1.607 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.68E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.68E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.081 0.0E+00 0.575E-01 1.42 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.43 E-02 4.8 O 3 U[11] [14] S/ESD 24 24 -0.014 0.0E+00 0.44 E-02 -3.3 O 3 U[22] @@ -27322,12 +27322,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.018 0.009 0.013 [03] Reversals @@ -27383,57 +27383,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.011 0.013 0.011 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.012 0.011 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.013 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -27515,8 +27515,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.79E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.79E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.077 0.9E+00 0.436E-01 1.76 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.69 E-02 1.6 C 4 U[11] @@ -27562,12 +27562,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -27623,57 +27623,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.009 +[31] 0.011 0.008 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27755,8 +27755,8 @@ LS-scale= 1.655 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -27800,12 +27800,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -27861,57 +27861,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.007 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -27994,8 +27994,8 @@ LS-scale= 1.659 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.84E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.84E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -28035,12 +28035,12 @@ All cycle Rw 0.0 16. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -28096,57 +28096,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.009 +[31] 0.011 0.009 0.010 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.009 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -28394,8 +28394,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 1 [13] LARGE 1 1 0.0 0.0E+00 0.6 E-01 1.2 BATCH 2 @@ -28434,15 +28434,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28570,8 +28570,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 1 [13] LARGE 1 1 0.0 0.1E+01 0.6 E-01 1.4 BATCH 2 @@ -28614,15 +28614,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28750,8 +28750,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 1.7 BATCH 2 @@ -28794,15 +28794,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29001,8 +29001,8 @@ LS-scale= 0.257 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 1 [13] LARGE 1 1 0.1 0.1E+01 0.6 E-01 2.3 BATCH 2 @@ -29041,15 +29041,15 @@ All cycle Min function 0.0 0.31E+05 0.10E+16 [38] Mean 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29238,8 +29238,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 1 S/ESD 1 1 -0.011 -0.7E-01 0.230E-02 -4.81 BATCH 2 @@ -29278,15 +29278,15 @@ All cycle Min function 0.0 0.97E+03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29419,8 +29419,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29461,15 +29461,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29602,8 +29602,8 @@ LS-scale= 1.747 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -29644,15 +29644,15 @@ All cycle Min function 0.0 0.95E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29861,8 +29861,8 @@ LS-scale= 1.772 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.52E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.52E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 1 1 0.2 0.0E+00 0.3 E-01 7.6 SCALE S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 1 S/ESD 2 2 -0.036 0.0E+00 0.405E-02 -8.93 BATCH 2 @@ -29902,15 +29902,15 @@ All cycle Min function 0.0 0.92E+03 0.10E+16 [38] Mean 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30043,8 +30043,8 @@ LS-scale= 1.838 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.96E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 S/ESD 1 1 -0.042 -0.2E+00 0.226E-01 -1.87 SCALE for 2 parameters @@ -30086,15 +30086,15 @@ Inter cycle R-factor -5.0 1.9 0.10E+03 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30227,8 +30227,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7.02E-07 +[80a] Block No 1. Single precision relative error: 7E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+00 rel. error: 7E-07 for 2 parameters [64] The rms (shift/su) = 0. @@ -30269,15 +30269,15 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30496,8 +30496,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.13E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30537,12 +30537,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -30598,57 +30598,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -30730,8 +30730,8 @@ LS-scale= 1.825 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -30768,15 +30768,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30832,57 +30832,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -31047,8 +31047,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1.14E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 10E+00 rel. error: 1E-06 for 35 parameters [64] The rms (shift/su) = 0. @@ -31085,15 +31085,15 @@ All cycle Rw 0.0 16. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -31149,57 +31149,57 @@ All cycle Rw 0.0 16. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.003 0.003 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.004 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -31294,8 +31294,8 @@ LS-scale= 1.826 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.64E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.64E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 -0.2 0.0E+00 0.9 E-01 -2.6 SCALE [14] S/ESD 13 13 -0.025 0.0E+00 0.31 E-02 -7.8 O 3 U[ISO] [14a] LARGE 17 17 -0.067 0.0E+00 0.69 E-02 -9.8 C 4 U[ISO] @@ -31340,12 +31340,12 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.018 0.005 +[31] 0.012 0.018 0.006 [70] Maximum 0. 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.051 0.011 +[31] 0.026 0.052 0.011 [03] Reversals @@ -31401,57 +31401,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.011 +[31] 0.015 0.011 0.012 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.010 +[31] 0.014 0.010 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.03 [73] 0.00 -0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.025 0.023 +[31] 0.024 0.025 0.024 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.013 0.010 0.011 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.007 [37] C 7. 1.00 1.00 0.75 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.014 0.015 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -31533,8 +31533,8 @@ LS-scale= 1.757 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 17 17 0.014 -0.2E+00 0.14 E-02 10.3 C 4 U[ISO] for 46 parameters @@ -31579,12 +31579,12 @@ Inter cycle Rw -5.0 14. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.013 0.005 +[31] 0.005 0.014 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.032 0.011 +[31] 0.009 0.033 0.011 [03] Reversals @@ -31640,57 +31640,57 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 1.00 0.95 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31772,8 @@ LS-scale= 1.765 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -31817,12 +31817,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.001 +[31] 0.001 0.004 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.008 0.002 +[31] 0.003 0.008 0.003 [03] Reversals @@ -31878,57 +31878,57 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -32093,8 +32093,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 9E+01 rel. error: 1E-05 for 46 parameters [64] The rms (shift/su) = 0. @@ -32131,15 +32131,15 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32195,57 +32195,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 3. 1.00 1.00 0.76 0.24 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] O 5. 1.00 1.00 0.66 0.09 0.05 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.007 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 11. 1.00 1.00 1.10 -0.04 0.14 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -32340,8 +32340,8 @@ LS-scale= 1.769 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.091 0.0E+00 0.515E-01 1.77 SCALE [14] S/ESD 23 23 0.021 0.0E+00 0.29 E-02 7.1 O 3 U[11] [14] S/ESD 24 24 -0.015 0.0E+00 0.29 E-02 -5.1 O 3 U[22] @@ -32400,12 +32400,12 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.01 -[31] 0.017 0.009 0.012 +[31] 0.017 0.009 0.013 [03] Reversals @@ -32461,57 +32461,57 @@ All cycle Min function 0.0 0.17E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32593,8 +32593,8 @@ LS-scale= 1.795 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.23E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.092 0.1E+01 0.390E-01 2.37 SCALE [14] S/ESD 32 32 0.011 0.3E+00 0.46 E-02 2.5 C 4 U[11] @@ -32640,12 +32640,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [03] Reversals @@ -32701,57 +32701,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.005 0.006 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32833,8 +32833,8 @@ LS-scale= 1.820 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.24E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.24E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -32878,12 +32878,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [03] Reversals @@ -32939,57 +32939,57 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -33154,8 +33154,8 @@ LS-scale= 1.824 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.26E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.26E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 for 101 parameters [64] The rms (shift/su) = 0. @@ -33195,12 +33195,12 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -33256,57 +33256,57 @@ All cycle Min function 0.0 0.86E+03 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.76 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.003 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.09 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.006 0.005 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.006 0.006 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GHGUI.org/bigsfls.out b/test_suite/MIN64GHGUI.org/bigsfls.out index a6f66d99c..4e5822044 100644 --- a/test_suite/MIN64GHGUI.org/bigsfls.out +++ b/test_suite/MIN64GHGUI.org/bigsfls.out @@ -2084,8 +2084,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.17E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2.17E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 2E+02 rel. error: 2E-05 Composite Composite @@ -2465,12 +2465,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.004 0.009 +[31] 0.026 0.004 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.04 0.01 0.01 0.01 -[31] 0.113 0.007 0.042 +[31] 0.114 0.008 0.043 [03] Reversals @@ -2515,742 +2515,742 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.005 +[31] 0.005 0.005 0.005 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.007 0.011 0.009 +[31] 0.008 0.011 0.010 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.008 0.010 0.006 +[31] 0.008 0.010 0.007 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.008 0.010 0.007 +[31] 0.008 0.011 0.007 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.007 0.010 0.009 +[31] 0.007 0.011 0.010 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.23 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.04 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.010 0.005 0.011 +[31] 0.010 0.006 0.011 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.007 0.005 0.008 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.005 +[31] 0.006 0.007 0.006 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.006 0.007 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.008 0.007 0.008 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.06 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.006 0.008 0.008 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.008 +[31] 0.006 0.007 0.008 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.007 0.006 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.007 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.007 0.007 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.006 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.008 0.009 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.008 +[31] 0.007 0.006 0.008 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.04 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.008 +[31] 0.007 0.008 0.008 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.008 +[31] 0.009 0.007 0.008 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.009 +[31] 0.007 0.010 0.010 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.010 +[31] 0.009 0.007 0.010 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.007 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.008 0.010 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.009 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.006 0.007 0.009 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.006 +[31] 0.009 0.008 0.006 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.008 +[31] 0.006 0.007 0.008 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.008 0.007 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.008 +[31] 0.008 0.006 0.008 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.007 +[31] 0.006 0.009 0.007 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.009 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.010 +[31] 0.008 0.007 0.010 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.007 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.009 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.007 0.009 0.007 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.010 +[31] 0.009 0.008 0.010 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.008 +[31] 0.011 0.010 0.009 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.008 0.011 +[31] 0.011 0.008 0.011 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.010 +[31] 0.008 0.008 0.010 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.009 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.008 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.009 +[31] 0.010 0.007 0.010 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.009 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.03 -[31] 0.122 0.123 0.128 +[31] 0.122 0.124 0.129 [37] H 116. 1.00 1.00 0.51 0.41 0.11 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.010 +[31] 0.010 0.007 0.010 [37] H 115. 1.00 1.00 0.57 0.53 0.00 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.011 0.006 [37] H 114. 1.00 1.00 0.58 0.68 0.01 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.008 [37] H 113. 1.00 1.00 0.52 0.69 0.14 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.010 +[31] 0.010 0.006 0.011 [37] H 112. 1.00 1.00 0.45 0.57 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.010 0.007 [37] H 126. 1.00 1.00 0.61 0.30 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] H 125. 1.00 1.00 0.72 0.17 0.25 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.011 +[31] 0.007 0.012 0.012 [37] H 124. 1.00 1.00 0.68 0.08 0.19 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.009 0.012 [37] H 123. 1.00 1.00 0.52 0.12 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.010 +[31] 0.012 0.010 0.011 [37] H 122. 1.00 1.00 0.42 0.25 0.20 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.011 0.010 +[31] 0.008 0.011 0.011 [37] H 136. 1.00 1.00 0.33 0.32 0.45 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.009 0.010 +[31] 0.007 0.009 0.010 [37] H 135. 1.00 1.00 0.37 0.31 0.56 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.006 [37] H 134. 1.00 1.00 0.52 0.38 0.54 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] H 133. 1.00 1.00 0.62 0.45 0.41 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.011 +[31] 0.008 0.010 0.011 [37] H 132. 1.00 1.00 0.58 0.46 0.29 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.006 +[31] 0.009 0.009 0.007 [37] H 216. 1.00 1.00 0.24 0.72 0.20 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.010 0.010 0.008 [37] H 215. 1.00 1.00 0.31 0.81 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.011 +[31] 0.011 0.006 0.011 [37] H 214. 1.00 1.00 0.35 0.74 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.010 0.010 0.012 [37] H 213. 1.00 1.00 0.32 0.59 0.44 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.007 +[31] 0.010 0.011 0.008 [37] H 212. 1.00 1.00 0.25 0.50 0.39 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.009 +[31] 0.010 0.006 0.009 [37] H 226. 1.00 1.00 0.05 0.68 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.008 +[31] 0.012 0.010 0.009 [37] H 225. 1.00 1.00 -0.11 0.73 0.31 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.014 +[31] 0.013 0.009 0.014 [37] H 224. 1.00 1.00 -0.19 0.62 0.43 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.014 0.013 +[31] 0.007 0.014 0.013 [37] H 223. 1.00 1.00 -0.12 0.48 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.012 0.012 0.009 [37] H 222. 1.00 1.00 0.04 0.43 0.41 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.007 0.011 +[31] 0.012 0.007 0.012 [37] H 236. 1.00 1.00 0.06 0.55 0.17 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.011 +[31] 0.007 0.011 0.011 [37] H 235. 1.00 1.00 0.08 0.60 0.03 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.013 +[31] 0.011 0.012 0.013 [37] H 234. 1.00 1.00 0.23 0.66 -0.06 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.007 +[31] 0.014 0.011 0.007 [37] H 233. 1.00 1.00 0.36 0.67 -0.01 0.07 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] H 232. 1.00 1.00 0.34 0.61 0.12 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.012 +[31] 0.008 0.011 0.012 [37] H 316. 1.00 1.00 0.17 0.17 0.55 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.011 +[31] 0.007 0.011 0.012 [37] H 315. 1.00 1.00 0.27 0.11 0.64 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.006 +[31] 0.013 0.011 0.007 [37] H 314. 1.00 1.00 0.44 0.07 0.59 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.011 +[31] 0.012 0.011 0.012 [37] H 313. 1.00 1.00 0.52 0.09 0.45 0.07 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.013 +[31] 0.006 0.011 0.013 [37] H 312. 1.00 1.00 0.42 0.14 0.36 0.07 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.007 +[31] 0.011 0.011 0.007 [37] H 326. 1.00 1.00 0.07 0.09 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.009 0.011 [37] H 325. 1.00 1.00 -0.08 0.07 0.51 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.011 0.009 0.013 [37] H 324. 1.00 1.00 -0.16 0.16 0.59 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.012 0.010 +[31] 0.007 0.013 0.010 [37] H 323. 1.00 1.00 -0.07 0.28 0.58 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] H 322. 1.00 1.00 0.08 0.31 0.48 0.07 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.011 +[31] 0.011 0.008 0.012 [37] H 336. 1.00 1.00 0.19 0.22 0.23 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.010 0.008 0.012 [37] H 335. 1.00 1.00 0.23 0.11 0.15 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.008 +[31] 0.012 0.014 0.009 [37] H 334. 1.00 1.00 0.31 -0.02 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.012 0.012 0.013 [37] H 333. 1.00 1.00 0.35 -0.07 0.32 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.014 +[31] 0.011 0.008 0.014 [37] H 332. 1.00 1.00 0.31 0.03 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.008 +[31] 0.011 0.012 0.009 [37] H 413. 1.00 1.00 -0.29 0.59 0.15 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.011 +[31] 0.009 0.010 0.011 [37] H 415. 1.00 1.00 -0.29 0.54 0.12 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.010 0.012 0.010 [37] H 416. 1.00 1.00 -0.17 0.38 0.15 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.012 0.010 0.011 [37] H 412. 1.00 1.00 -0.20 0.61 0.27 0.07 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.009 0.011 +[31] 0.012 0.010 0.012 [37] H 414. 1.00 1.00 -0.09 0.47 0.29 0.07 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [37] H 426. 1.00 1.00 -0.09 0.20 0.17 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.013 +[31] 0.009 0.012 0.013 [37] H 425. 1.00 1.00 0.00 0.17 0.05 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.011 0.016 +[31] 0.016 0.011 0.016 [37] H 424. 1.00 1.00 0.14 0.23 -0.03 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.010 +[31] 0.015 0.014 0.010 [37] H 423. 1.00 1.00 0.21 0.33 0.00 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.012 +[31] 0.009 0.013 0.012 [37] H 422. 1.00 1.00 0.13 0.37 0.11 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.014 +[31] 0.013 0.010 0.015 [37] H 436. 1.00 1.00 -0.02 0.12 0.30 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.011 +[31] 0.008 0.013 0.012 [37] H 435. 1.00 1.00 -0.13 0.01 0.39 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.007 0.014 +[31] 0.015 0.007 0.014 [37] H 434. 1.00 1.00 -0.29 0.05 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] H 433. 1.00 1.00 -0.34 0.20 0.46 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.015 0.011 +[31] 0.008 0.015 0.011 [37] H 432. 1.00 1.00 -0.24 0.32 0.36 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.008 0.013 +[31] 0.013 0.008 0.013 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.066 0.224 0.384 0.225 0.178 1.306 Might be split @@ -3356,8 +3356,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.30E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.30E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -3394,15 +3394,15 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.000 0.000 [03] Reversals @@ -3447,442 +3447,442 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.003 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.001 0.003 [37] F 6. 1.00 0.00 0.62 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.000 0.001 0.001 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 213. 1.00 1.00 0.30 0.62 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.000 0.002 [37] C 221. 1.00 1.00 0.06 0.55 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 222. 1.00 1.00 0.00 0.50 0.39 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 313. 1.00 1.00 0.45 0.11 0.47 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 322. 1.00 1.00 0.04 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 325. 1.00 1.00 -0.04 0.11 0.50 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.000 0.001 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 335. 1.00 1.00 0.24 0.10 0.20 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 411. 1.00 1.00 -0.12 0.42 0.22 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 412. 1.00 1.00 -0.20 0.57 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 413. 1.00 1.00 -0.25 0.57 0.18 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 414. 1.00 1.00 -0.14 0.49 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 415. 1.00 1.00 -0.24 0.50 0.15 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 416. 1.00 1.00 -0.17 0.43 0.17 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 423. 1.00 1.00 0.14 0.31 0.03 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 433. 1.00 1.00 -0.28 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [37] C 436. 1.00 1.00 -0.08 0.14 0.33 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [37] H 1. 1.00 1.00 0.21 0.39 0.37 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -3992,8 +3992,8 @@ LS-scale= 0.909 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.76E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.76E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 [14] S/ESD 217 217 -0.012 0.0E+00 0.79 E-03 -15.0 C 414 X [14] S/ESD 219 219 -0.010 0.0E+00 0.63 E-03 -16.9 C 414 Z @@ -4035,12 +4035,12 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.030 +[31] 0.029 0.024 0.030 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.174 0.155 0.200 +[31] 0.175 0.155 0.201 [03] Reversals @@ -4085,437 +4085,437 @@ All cycle Min function 0.0 0.14E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.006 0.007 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.019 +[31] 0.017 0.016 0.019 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.017 +[31] 0.016 0.019 0.017 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.014 +[31] 0.016 0.016 0.015 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.017 +[31] 0.016 0.018 0.017 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.017 +[31] 0.015 0.017 0.017 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.016 0.027 +[31] 0.021 0.016 0.028 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.011 0.012 0.012 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.009 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.011 +[31] 0.009 0.011 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.012 0.013 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.012 +[31] 0.010 0.012 0.013 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.013 0.012 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.012 +[31] 0.015 0.014 0.013 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.012 +[31] 0.015 0.014 0.013 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.012 0.011 0.014 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.011 0.013 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.010 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.011 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.014 0.014 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.014 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.013 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.016 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 225. 1.00 1.00 -0.08 0.66 0.33 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.014 0.014 0.014 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.011 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.014 0.012 0.015 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.017 +[31] 0.015 0.013 0.017 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.012 0.016 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.013 0.011 0.014 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.010 0.013 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.015 0.012 0.016 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.016 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.014 0.014 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.014 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.017 +[31] 0.013 0.017 0.017 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.015 +[31] 0.013 0.016 0.016 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.013 +[31] 0.011 0.013 0.013 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.011 0.011 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 413. 1.00 1.00 -0.24 0.57 0.19 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.015 0.013 [37] C 414. 1.00 1.00 -0.15 0.49 0.24 0.05 [73] 0.00 -0.01 0.00 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.014 0.012 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.012 +[31] 0.012 0.014 0.013 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.013 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.014 0.013 0.015 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.019 +[31] 0.018 0.016 0.019 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.015 0.017 +[31] 0.017 0.015 0.018 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.015 +[31] 0.014 0.013 0.015 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.016 0.015 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.015 +[31] 0.016 0.017 0.015 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.014 +[31] 0.016 0.017 0.015 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.015 0.015 0.014 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split @@ -4635,15 +4635,15 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.007 +[31] 0.004 0.004 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.017 0.058 +[31] 0.036 0.017 0.059 [03] Reversals @@ -4688,437 +4688,437 @@ All cycle Min function 0.0 0.16E+06 0.10E+16 [37] IR 1. 1.00 0.00 0.25 0.37 0.30 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] AU 1. 1.00 0.00 0.07 0.35 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [37] P 1. 1.00 0.00 0.42 0.38 0.28 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] P 2. 1.00 0.00 0.19 0.52 0.26 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 3. 1.00 0.00 0.22 0.22 0.37 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] P 4. 1.00 0.00 -0.04 0.32 0.25 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] P 5. 1.00 0.00 0.60 -0.17 0.23 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] F 1. 1.00 0.00 0.57 -0.27 0.26 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.018 +[31] 0.016 0.015 0.018 [37] F 2. 1.00 0.00 0.51 -0.14 0.20 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.016 [37] F 3. 1.00 0.00 0.67 -0.19 0.15 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.015 0.014 [37] F 4. 1.00 0.00 0.52 -0.16 0.32 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.017 0.016 [37] F 5. 1.00 0.00 0.68 -0.21 0.27 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.016 +[31] 0.014 0.016 0.016 [37] F 6. 1.00 0.00 0.63 -0.07 0.21 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.026 +[31] 0.020 0.015 0.026 [37] C 1. 1.00 0.00 0.28 0.37 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.011 0.011 [37] O 1. 1.00 0.00 0.30 0.37 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.010 0.008 [37] C 111. 1.00 1.00 0.47 0.48 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.010 [37] C 112. 1.00 1.00 0.48 0.56 0.20 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 113. 1.00 1.00 0.52 0.63 0.13 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.009 0.011 0.011 [37] C 114. 1.00 1.00 0.55 0.62 0.06 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.012 0.012 [37] C 115. 1.00 1.00 0.55 0.54 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.012 +[31] 0.010 0.011 0.012 [37] C 116. 1.00 1.00 0.51 0.47 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.010 0.011 [37] C 121. 1.00 1.00 0.50 0.29 0.25 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 122. 1.00 1.00 0.48 0.23 0.21 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 123. 1.00 1.00 0.54 0.16 0.19 0.06 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] C 124. 1.00 1.00 0.63 0.14 0.21 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] C 125. 1.00 1.00 0.66 0.19 0.24 0.07 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.014 0.013 0.012 [37] C 126. 1.00 1.00 0.59 0.26 0.26 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.011 [37] C 131. 1.00 1.00 0.45 0.39 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.010 +[31] 0.009 0.009 0.010 [37] C 132. 1.00 1.00 0.53 0.43 0.35 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.011 +[31] 0.010 0.009 0.011 [37] C 133. 1.00 1.00 0.56 0.42 0.42 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 134. 1.00 1.00 0.50 0.38 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 135. 1.00 1.00 0.41 0.34 0.51 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.012 +[31] 0.011 0.010 0.012 [37] C 136. 1.00 1.00 0.39 0.35 0.44 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 211. 1.00 1.00 0.24 0.60 0.29 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 212. 1.00 1.00 0.26 0.56 0.36 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.010 +[31] 0.009 0.010 0.010 [37] C 213. 1.00 1.00 0.31 0.62 0.38 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.012 0.012 [37] C 214. 1.00 1.00 0.32 0.70 0.34 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 215. 1.00 1.00 0.30 0.74 0.27 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.013 +[31] 0.011 0.014 0.013 [37] C 216. 1.00 1.00 0.26 0.69 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.011 +[31] 0.010 0.011 0.012 [37] C 221. 1.00 1.00 0.06 0.55 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 222. 1.00 1.00 0.00 0.49 0.39 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 223. 1.00 1.00 -0.08 0.52 0.43 0.07 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.014 0.015 0.015 [37] C 224. 1.00 1.00 -0.13 0.61 0.40 0.07 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 225. 1.00 1.00 -0.08 0.67 0.33 0.07 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 226. 1.00 1.00 0.01 0.64 0.29 0.06 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] C 231. 1.00 1.00 0.20 0.57 0.16 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 232. 1.00 1.00 0.29 0.61 0.10 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.011 +[31] 0.011 0.010 0.012 [37] C 233. 1.00 1.00 0.30 0.64 0.02 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.014 [37] C 234. 1.00 1.00 0.22 0.64 0.00 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.016 +[31] 0.015 0.012 0.016 [37] C 235. 1.00 1.00 0.13 0.60 0.05 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.012 0.015 [37] C 236. 1.00 1.00 0.12 0.57 0.13 0.05 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.013 +[31] 0.012 0.011 0.013 [37] C 311. 1.00 1.00 0.29 0.16 0.45 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.009 0.011 [37] C 312. 1.00 1.00 0.39 0.14 0.42 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.012 +[31] 0.012 0.010 0.012 [37] C 313. 1.00 1.00 0.45 0.10 0.47 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.013 0.011 0.014 [37] C 314. 1.00 1.00 0.40 0.10 0.55 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.015 +[31] 0.015 0.011 0.015 [37] C 315. 1.00 1.00 0.30 0.12 0.58 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.014 +[31] 0.014 0.011 0.015 [37] C 316. 1.00 1.00 0.24 0.15 0.53 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.010 0.012 +[31] 0.012 0.010 0.013 [37] C 321. 1.00 1.00 0.09 0.20 0.44 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 322. 1.00 1.00 0.05 0.26 0.49 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.011 0.011 [37] C 323. 1.00 1.00 -0.04 0.24 0.54 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 324. 1.00 1.00 -0.09 0.17 0.55 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 325. 1.00 1.00 -0.04 0.12 0.50 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 326. 1.00 1.00 0.04 0.13 0.45 0.05 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] C 331. 1.00 1.00 0.25 0.13 0.32 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.011 [37] C 332. 1.00 1.00 0.29 0.05 0.34 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.013 +[31] 0.011 0.013 0.013 [37] C 333. 1.00 1.00 0.31 -0.01 0.30 0.07 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] C 334. 1.00 1.00 0.29 0.01 0.23 0.08 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.016 +[31] 0.013 0.016 0.016 [37] C 335. 1.00 1.00 0.25 0.10 0.20 0.07 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.015 +[31] 0.012 0.015 0.015 [37] C 336. 1.00 1.00 0.22 0.16 0.25 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.010 0.013 0.012 [37] C 411. 1.00 1.00 -0.13 0.43 0.22 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 412. 1.00 1.00 -0.19 0.56 0.24 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.013 [37] C 413. 1.00 1.00 -0.25 0.57 0.19 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.012 [37] C 414. 1.00 1.00 -0.15 0.50 0.24 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.011 0.013 0.011 [37] C 415. 1.00 1.00 -0.23 0.50 0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 416. 1.00 1.00 -0.17 0.42 0.17 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.013 0.012 [37] C 421. 1.00 1.00 0.01 0.29 0.16 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.012 [37] C 422. 1.00 1.00 0.10 0.33 0.10 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.013 +[31] 0.013 0.012 0.014 [37] C 423. 1.00 1.00 0.14 0.30 0.03 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 424. 1.00 1.00 0.10 0.25 0.01 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.015 0.018 [37] C 425. 1.00 1.00 0.02 0.21 0.06 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.016 +[31] 0.016 0.014 0.017 [37] C 426. 1.00 1.00 -0.02 0.23 0.14 0.06 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.014 +[31] 0.013 0.012 0.014 [37] C 431. 1.00 1.00 -0.12 0.23 0.32 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.012 0.011 [37] C 432. 1.00 1.00 -0.21 0.25 0.36 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.012 [37] C 433. 1.00 1.00 -0.27 0.19 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.013 +[31] 0.015 0.015 0.014 [37] C 434. 1.00 1.00 -0.24 0.10 0.42 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.014 +[31] 0.015 0.016 0.014 [37] C 435. 1.00 1.00 -0.15 0.07 0.38 0.07 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.013 +[31] 0.015 0.016 0.014 [37] C 436. 1.00 1.00 -0.09 0.14 0.33 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [84] Mean C-C su = 0.01 The following atoms should be carefully examined [24] F 6. 0.063 0.203 0.446 0.237 0.179 1.427 Might be split diff --git a/test_suite/MIN64GHGUI.org/difabs.out b/test_suite/MIN64GHGUI.org/difabs.out index 44ad1f5d2..db60451a9 100644 --- a/test_suite/MIN64GHGUI.org/difabs.out +++ b/test_suite/MIN64GHGUI.org/difabs.out @@ -14,7 +14,7 @@ [89] 0.02 -0.08 0.05 -[31] 0.139 -0.000 -0.003 +[31] 0.139 -0.001 -0.003 #LIST 2 #LIST 6 #LIST 28 diff --git a/test_suite/MIN64GHGUI.org/eigenfilter.out b/test_suite/MIN64GHGUI.org/eigenfilter.out index f1f8c65c0..cfee6759b 100644 --- a/test_suite/MIN64GHGUI.org/eigenfilter.out +++ b/test_suite/MIN64GHGUI.org/eigenfilter.out @@ -508,12 +508,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -558,57 +558,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -733,12 +733,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -783,57 +783,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -951,15 +951,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1004,57 +1004,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1191,12 +1191,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1241,57 +1241,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1416,12 +1416,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1466,57 +1466,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1641,12 +1641,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1691,57 +1691,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1863,15 +1863,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1916,57 +1916,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2114,15 +2114,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2167,57 +2167,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2343,15 +2343,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2396,57 +2396,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2978,15 +2978,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3031,57 +3031,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3531,12 +3531,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -3581,57 +3581,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3756,12 +3756,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -3806,57 +3806,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3981,12 +3981,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4031,57 +4031,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4218,12 +4218,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4268,57 +4268,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4443,12 +4443,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4493,57 +4493,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4668,12 +4668,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -4718,57 +4718,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4890,15 +4890,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -4943,57 +4943,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5141,15 +5141,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.76 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5194,57 +5194,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5370,15 +5370,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5423,57 +5423,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -6003,15 +6003,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.008 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.014 0.023 0.018 [03] Reversals @@ -6056,57 +6056,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -6557,12 +6557,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -6607,57 +6607,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -6782,12 +6782,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -6832,57 +6832,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7007,12 +7007,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -7057,57 +7057,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -7243,12 +7243,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -7293,57 +7293,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7468,12 +7468,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -7518,57 +7518,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7693,12 +7693,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -7743,57 +7743,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7911,15 +7911,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7964,57 +7964,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8164,15 +8164,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8217,57 +8217,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8393,15 +8393,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8446,57 +8446,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -9037,15 +9037,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -9090,57 +9090,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -9591,12 +9591,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -9641,57 +9641,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -9816,12 +9816,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -9866,57 +9866,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10041,12 +10041,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -10091,57 +10091,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -10277,12 +10277,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -10327,57 +10327,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10502,12 +10502,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -10552,57 +10552,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10727,12 +10727,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -10777,57 +10777,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -10945,15 +10945,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10998,57 +10998,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11198,15 +11198,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11251,57 +11251,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11427,15 +11427,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11480,57 +11480,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -12071,15 +12071,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -12124,57 +12124,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GHGUI.org/esd.out b/test_suite/MIN64GHGUI.org/esd.out index 626e7261c..38334b381 100644 --- a/test_suite/MIN64GHGUI.org/esd.out +++ b/test_suite/MIN64GHGUI.org/esd.out @@ -843,8 +843,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.11E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -913,12 +913,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.003 0.005 [03] Reversals @@ -963,37 +963,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST @@ -1963,8 +1963,8 @@ LS-scale= 21.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1.12E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 9E+00 rel. error: 1E-06 [13] LARGE 1 1 -2.3 0.0E+00 0.1 E+00 -13.4 SCALE Composite @@ -2025,12 +2025,12 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [89] 0.02 0.00 0.00 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.001 0.003 +[31] 0.027 0.002 0.004 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.002 0.005 +[31] 0.037 0.002 0.005 [03] Reversals @@ -2075,37 +2075,37 @@ All cycle Min function 0.0 0.20E+06 0.10E+16 [37] C 1. 1.00 1.00 -0.22 0.08 0.06 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 -0.13 0.14 -0.06 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 1.00 0.03 -0.04 -0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.005 +[31] 0.000 0.000 0.005 [37] C 7. 1.00 1.00 -0.39 0.28 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 71. 1.00 1.00 -0.28 0.42 0.12 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 72. 1.00 1.00 -0.52 0.32 0.08 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [37] H 73. 1.00 1.00 -0.45 0.24 0.20 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.005 [84] Mean C-C su = 0.00 #CYCLENDS #DIST diff --git a/test_suite/MIN64GHGUI.org/flack.out b/test_suite/MIN64GHGUI.org/flack.out index 8d59edfe9..5197375c0 100644 --- a/test_suite/MIN64GHGUI.org/flack.out +++ b/test_suite/MIN64GHGUI.org/flack.out @@ -142,8 +142,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -180,15 +180,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -289,8 +289,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -327,15 +327,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -474,8 +474,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -513,15 +513,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -613,8 +613,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -651,15 +651,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -783,8 +783,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -821,15 +821,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -930,8 +930,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -968,15 +968,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1115,8 +1115,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 2.0 0.0E+00 0.3 E+00 6.0 POLARITY for 1 parameters @@ -1154,15 +1154,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1254,8 +1254,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1292,15 +1292,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1425,8 +1425,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.4 E-02 -0.2 POLARITY for 1 parameters @@ -1464,15 +1464,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1573,8 +1573,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -1611,15 +1611,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1758,8 +1758,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -2.0 0.0E+00 0.3 E+00 -6.0 POLARITY for 1 parameters @@ -1797,15 +1797,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 2. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1897,8 +1897,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 0.0 -0.9E-03 0.4 E-02 0.4 POLARITY for 1 parameters @@ -1936,15 +1936,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2069,8 +2069,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.0E+00 0.1 E-02 -0.5 ENANTIO for 1 parameters @@ -2108,15 +2108,15 @@ All cycle Min function 0.0 0.39E-03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2218,8 +2218,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -2256,15 +2256,15 @@ All cycle Rw 0.0 0.49E-01 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2403,8 +2403,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.9 0.0E+00 0.1 E+00 -6.7 ENANTIO for 1 parameters @@ -2442,15 +2442,15 @@ All cycle Min function 0.0 2.6 0.10E+16 [38] Mean -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2542,8 +2542,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [13] LARGE 1 1 -0.0 0.6E-02 0.2 E-02 -3.1 ENANTIO for 1 parameters @@ -2581,15 +2581,15 @@ All cycle Min function 0.0 0.50E-03 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2736,8 +2736,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 1 1 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 1 parameters @@ -2775,15 +2775,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -2828,7 +2828,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2879,8 +2879,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -2921,15 +2921,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -2974,7 +2974,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3026,8 +3026,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 6. @@ -3064,15 +3064,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3117,7 +3117,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3168,8 +3168,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 4. @@ -3210,15 +3210,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -3263,7 +3263,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FINALLY, INVERT POLARITY AND ENANTIOMER, @@ -3371,8 +3371,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.25E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [14] S/ESD 2 2 0.010 0.0E+00 0.19 E-02 5.5 CL 1 Z for 2 parameters @@ -3410,15 +3410,15 @@ All cycle Min function 0.0 56. 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.080 +[31] 0.000 0.000 0.081 [03] Reversals @@ -3463,7 +3463,7 @@ All cycle Min function 0.0 56. 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.13 0.04 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.014 +[31] 0.000 0.000 0.015 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3515,8 +3515,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.28E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.28E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3557,15 +3557,15 @@ Inter cycle Rw -5.0 11. 0.10E+03 [38] Mean -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.053 +[31] 0.000 0.000 0.054 [03] Reversals @@ -3610,7 +3610,7 @@ Inter cycle Rw -5.0 11. 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.008 +[31] 0.000 0.000 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3662,8 +3662,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 4. @@ -3700,15 +3700,15 @@ All cycle Min function 0.0 0.33 0.10E+16 [38] Mean 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.013 +[31] 0.000 0.000 0.013 [03] Reversals @@ -3753,7 +3753,7 @@ All cycle Min function 0.0 0.33 0.10E+16 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.000 0.000 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3804,8 +3804,8 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.20E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.20E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 2 parameters [64] The rms (shift/su) = 3. @@ -3846,15 +3846,15 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3899,7 +3899,7 @@ Inter cycle Rw -5.0 1.4 0.10E+03 [37] CL 1. 1.00 0.00 -0.19 -0.20 -0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOW IMPORT AGS4, THE SHELX2013 TEST DATA @@ -4323,8 +4323,8 @@ LS-scale= 2.699 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.86E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.86E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 0.052 0.0E+00 0.335E-01 1.56 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.2 E-01 0.1 ENANTIO @@ -4366,12 +4366,12 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.001 0.002 0.006 [03] Reversals @@ -4416,42 +4416,42 @@ All cycle Min function 0.0 0.60E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.045 0.093 0.310 0.149 0.109 0.632 Might be split @@ -4536,8 +4536,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.83E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.83E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 [13] LARGE 2 2 0.0 0.3E+00 0.2 E-01 0.0 ENANTIO for 56 parameters @@ -4582,12 +4582,12 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.001 0.001 [03] Reversals @@ -4632,42 +4632,42 @@ All cycle Min function 0.0 0.59E+03 0.10E+16 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.625 Might be split @@ -4752,8 +4752,8 @@ LS-scale= 2.709 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.82E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 9.82E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+01 rel. error: 10E-06 for 56 parameters [64] The rms (shift/su) = 0. @@ -4793,12 +4793,12 @@ All cycle Rw 0.0 7.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [03] Reversals @@ -4843,42 +4843,42 @@ All cycle Rw 0.0 7.1 0.10E+03 [37] AG 1. 1.00 0.00 1.00 1.00 0.00 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 2. 1.00 0.00 0.97 1.21 -0.21 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 3. 1.00 0.00 0.90 1.27 -0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.007 [37] S 4. 1.00 0.00 0.79 1.36 -0.51 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.003 [37] S 5. 1.00 0.00 0.96 1.38 -0.73 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] AS 6. 1.00 0.00 0.50 0.50 0.00 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] F 7. 1.00 0.00 0.67 0.59 0.00 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.012 +[31] 0.004 0.004 0.012 [37] F 8. 1.00 0.00 0.50 0.50 0.24 0.45 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.007 +[31] 0.000 0.000 0.007 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [24] F 7. 0.046 0.093 0.309 0.149 0.110 0.624 Might be split diff --git a/test_suite/MIN64GHGUI.org/fourier.out b/test_suite/MIN64GHGUI.org/fourier.out index e9a58018f..de171e82c 100644 --- a/test_suite/MIN64GHGUI.org/fourier.out +++ b/test_suite/MIN64GHGUI.org/fourier.out @@ -27949,8 +27949,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -27990,12 +27990,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -28040,57 +28040,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28172,8 +28172,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28217,12 +28217,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -28267,57 +28267,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28399,8 +28399,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -28437,15 +28437,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -28490,57 +28490,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -28635,8 +28635,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -28679,12 +28679,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -28729,57 +28729,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -28861,8 +28861,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -28906,12 +28906,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -28956,57 +28956,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29088,8 +29088,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29133,12 +29133,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -29183,57 +29183,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -29315,8 +29315,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -29357,15 +29357,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -29410,57 +29410,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -29557,8 +29557,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -29610,15 +29610,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29663,57 +29663,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29795,8 +29795,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -29841,15 +29841,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29894,57 +29894,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 diff --git a/test_suite/MIN64GHGUI.org/geom.out b/test_suite/MIN64GHGUI.org/geom.out index e0001456f..ccb551512 100644 --- a/test_suite/MIN64GHGUI.org/geom.out +++ b/test_suite/MIN64GHGUI.org/geom.out @@ -189,9 +189,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 5.64 -0.82 -2.7 0.02 -0.00 0.00 -0.05 -0.06 0.11 -[35] -0.82 16.99 4.6 -0.00 0.03 -0.00 0.13 -0.06 0.04 -[35] -2.72 4.60 2.2 0.00 -0.00 0.03 -0.08 -0.38 0.11 +[35] 5.64 -0.82 -2.72 0.02 -0.00 0.00 -0.05 -0.06 0.11 +[35] -0.82 17.00 4.61 -0.00 0.03 -0.00 0.14 -0.06 0.05 +[35] -2.72 4.61 2.28 0.00 -0.00 0.03 -0.09 -0.39 0.11 @@ -216,9 +216,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.00 -0.00 0.14 -0.24 -0.28 -[35] 0.00 6.47 0.0 -0.00 0.02 0.00 0.05 0.00 0.08 -[35] 0.00 0.00 18.5 -0.00 0.00 0.02 0.13 0.04 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.00 -0.00 0.15 -0.24 -0.28 +[35] 0.00 6.47 0.00 -0.00 0.02 0.00 0.06 0.00 0.08 +[35] 0.00 0.00 18.51 -0.00 0.00 0.03 0.14 0.04 -0.15 @@ -237,9 +237,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.06 0.00 0.0 0.03 -0.53 -0.62 0.14 0.00 0.00 -[35] 0.00 6.47 0.0 -0.53 0.88 1.01 0.00 0.00 0.00 -[35] 0.00 0.00 18.5 -0.62 1.01 1.21 0.00 0.00 -0.15 +[35] -0.07 0.00 0.00 0.03 -0.54 -0.62 0.15 0.00 0.00 +[35] 0.00 6.47 0.00 -0.54 0.89 1.01 0.00 0.00 0.00 +[35] 0.00 0.00 18.51 -0.62 1.01 1.21 0.00 0.00 -0.15 diff --git a/test_suite/MIN64GHGUI.org/layers.out b/test_suite/MIN64GHGUI.org/layers.out index 0e1a437fc..84273523b 100644 --- a/test_suite/MIN64GHGUI.org/layers.out +++ b/test_suite/MIN64GHGUI.org/layers.out @@ -411,8 +411,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -459,12 +459,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -520,57 +520,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -652,8 +652,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -708,12 +708,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -769,57 +769,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -901,8 +901,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -954,12 +954,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -1015,57 +1015,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1160,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -1212,12 +1212,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -1273,57 +1273,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1405,8 +1405,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -1458,12 +1458,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -1519,57 +1519,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1651,8 +1651,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -1701,15 +1701,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -1765,57 +1765,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1897,8 +1897,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -1950,12 +1950,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -2011,57 +2011,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2158,8 +2158,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -2222,15 +2222,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2286,57 +2286,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2418,8 +2418,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -2471,15 +2471,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2535,57 +2535,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3228,8 +3228,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.77 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -3279,15 +3279,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3343,57 +3343,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3475,8 +3475,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -3525,15 +3525,15 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3589,57 +3589,57 @@ Inter cycle Rw -5.0 1.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3721,8 +3721,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -3770,15 +3770,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3834,57 +3834,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -4291,8 +4291,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.61E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.61E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.072 0.0E+00 0.196E-01 -3.69 SCALE [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 1 [13] LARGE 35 35 0.0 0.0E+00 0.8 E-02 8.3 LAYER 7 @@ -4339,12 +4339,12 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.021 0.036 +[31] 0.014 0.022 0.037 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.045 0.094 +[31] 0.031 0.046 0.095 [03] Reversals @@ -4400,57 +4400,57 @@ All cycle Min function 0.0 0.45E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.020 0.024 0.024 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.022 0.023 0.023 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.015 0.017 0.017 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.029 0.029 +[31] 0.026 0.029 0.030 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.015 +[31] 0.014 0.016 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.024 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.017 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.024 0.024 +[31] 0.021 0.025 0.024 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.024 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.028 0.027 +[31] 0.024 0.029 0.028 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4532,8 +4532,8 @@ LS-scale= 1.384 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.50E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.50E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.023 -0.3E+00 0.173E-01 1.33 SCALE [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.8 LAYER 7 @@ -4588,12 +4588,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.005 +[31] 0.003 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.016 0.012 +[31] 0.006 0.016 0.012 [03] Reversals @@ -4649,57 +4649,57 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.019 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.021 +[31] 0.021 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.026 0.026 +[31] 0.024 0.026 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.014 +[31] 0.013 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.021 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.020 0.020 0.019 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.015 +[31] 0.015 0.016 0.015 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.022 +[31] 0.020 0.022 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.021 0.022 0.022 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.025 +[31] 0.022 0.026 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -4781,8 +4781,8 @@ LS-scale= 1.407 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.51E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.51E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 1 [13] LARGE 35 35 0.0 0.1E+01 0.8 E-02 8.6 LAYER 7 S/ESD 37 37 -0.056 0.1E+01 0.867E-02 -6.44 LAYER 3 @@ -4834,12 +4834,12 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.007 0.007 +[31] 0.001 0.008 0.008 [03] Reversals @@ -4895,57 +4895,57 @@ Inter cycle Rw -5.0 3.5 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.019 0.019 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.023 0.023 +[31] 0.022 0.023 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.012 +[31] 0.012 0.013 0.012 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.018 0.019 0.018 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.018 0.017 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.014 0.013 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.019 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.019 +[31] 0.018 0.020 0.019 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.023 0.022 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5040,8 +5040,8 @@ LS-scale= 1.422 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.36E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7E-06 S/ESD 1 1 0.087 0.0E+00 0.234E-01 3.70 SCALE [14] S/ESD 21 21 0.017 0.0E+00 0.24 E-02 6.9 O 5 U[ISO] [14] S/ESD 25 25 -0.010 0.0E+00 0.37 E-02 -2.8 N 6 U[ISO] @@ -5092,12 +5092,12 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.004 +[31] 0.003 0.006 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.017 0.010 +[31] 0.006 0.017 0.011 [03] Reversals @@ -5153,57 +5153,57 @@ All cycle Min function 0.0 0.23E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.017 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.012 0.012 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.017 0.016 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.017 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.020 0.019 +[31] 0.019 0.020 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5285,8 +5285,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.75E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.75E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 1 S/ESD 46 46 0.054 0.9E+00 0.779E-02 6.92 LAYER 7 S/ESD 48 48 -0.057 0.1E+01 0.838E-02 -6.75 LAYER 3 @@ -5338,12 +5338,12 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.004 +[31] 0.002 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.007 0.009 +[31] 0.003 0.007 0.009 [03] Reversals @@ -5399,57 +5399,57 @@ Inter cycle Rw -5.0 4.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.014 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.018 +[31] 0.018 0.019 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.017 0.018 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5531,8 +5531,8 @@ LS-scale= 1.514 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.92E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.92E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 1 S/ESD 46 46 0.042 0.8E+00 0.765E-02 5.51 LAYER 7 S/ESD 48 48 -0.052 0.9E+00 0.822E-02 -6.28 LAYER 3 @@ -5581,15 +5581,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.004 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.009 +[31] 0.004 0.006 0.009 [03] Reversals @@ -5645,57 +5645,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.013 0.013 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.015 0.013 0.013 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.016 0.016 +[31] 0.017 0.017 0.017 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.014 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.013 +[31] 0.014 0.014 0.014 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.016 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5777,8 +5777,8 @@ LS-scale= 1.508 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.10E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8.10E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 1 S/ESD 46 46 0.031 0.7E+00 0.752E-02 4.06 LAYER 7 S/ESD 48 48 -0.044 0.8E+00 0.806E-02 -5.41 LAYER 3 @@ -5830,12 +5830,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.006 +[31] 0.004 0.005 0.006 [03] Reversals @@ -5891,57 +5891,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.013 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.015 0.014 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -6038,8 +6038,8 @@ LS-scale= 1.503 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.15E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.15E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 S/ESD 1 1 0.128 0.0E+00 0.199E-01 6.45 SCALE [13] LARGE 2 2 497.0 0.0E+00 0.4 E+02 12.1 EXTPARAM [14] S/ESD 15 15 0.023 0.0E+00 0.45 E-02 5.2 O 3 U[11] @@ -6102,15 +6102,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 62.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 175. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 497. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6166,57 +6166,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6298,8 +6298,8 @@ LS-scale= 1.632 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.67E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.67E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.041 0.3E+00 0.187E-01 2.19 SCALE [43] Resetting shift for Extinction Shift= 361. Esd= 7 New shift= 99.4 [13] LARGE 2 2 99.4 0.7E+00 0.7 E+02 4.9 EXTPARAM @@ -6351,15 +6351,15 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [38] Mean 12.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 35. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 99. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6415,57 +6415,57 @@ Inter cycle Rw -5.0 3.8 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -7106,8 +7106,8 @@ LS-scale= 1.673 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.94E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 -0.030 0.0E+00 0.170E-01 -1.76 SCALE [43] Resetting shift for Extinction Shift= 153. Esd= 7 New shift= 119.2 [13] LARGE 2 2 119.2 0.0E+00 0.7 E+02 2.0 EXTPARAM @@ -7157,15 +7157,15 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [38] Mean 14.91 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 42. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 119. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7221,57 +7221,57 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7353,8 +7353,8 @@ LS-scale= 1.643 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.04E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.021 -0.7E+00 0.160E-01 1.32 SCALE [13] LARGE 2 2 125.1 0.1E+01 0.7 E+02 1.6 EXTPARAM S/ESD 71 71 -0.019 0.7E+00 0.678E-02 -2.85 LAYER 3 @@ -7403,15 +7403,15 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [38] Mean 15.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 44. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 125. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7467,57 +7467,57 @@ Inter cycle R-factor -5.0 1.1 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7599,8 +7599,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.11E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.017 0.8E+00 0.158E-01 1.09 SCALE S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 3 S/ESD 71 71 -0.012 0.6E+00 0.665E-02 -1.78 LAYER 7 @@ -7648,15 +7648,15 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [38] Mean 9.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 75. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7712,57 +7712,57 @@ All cycle Min function 0.0 0.44E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -8169,8 +8169,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -8220,12 +8220,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -8281,57 +8281,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -8413,8 +8413,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -8467,12 +8467,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.019 0.044 [03] Reversals @@ -8528,57 +8528,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -8660,8 +8660,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -8714,12 +8714,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -8775,57 +8775,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -8920,8 +8920,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.49 E-02 2.2 C 4 U[ISO] @@ -8973,12 +8973,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -9034,57 +9034,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9166,8 +9166,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -9218,12 +9218,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -9279,57 +9279,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9411,8 +9411,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -9464,12 +9464,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -9525,57 +9525,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -9657,8 +9657,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -9710,12 +9710,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -9771,57 +9771,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9918,8 +9918,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 370.0 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -9982,15 +9982,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 370. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10046,57 +10046,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10178,8 +10178,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 74.0 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -10234,15 +10234,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10298,57 +10298,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -10989,8 +10989,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.8 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.47 LAYER 1 @@ -11039,15 +11039,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11103,57 +11103,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11235,8 +11235,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -11290,15 +11290,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11354,57 +11354,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11486,8 +11486,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -11537,15 +11537,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11601,57 +11601,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -12058,8 +12058,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.43E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1E-06 [13] LARGE 1 1 0.3 0.0E+00 0.3 E-01 9.9 SCALE [14] S/ESD 20 20 0.010 0.0E+00 0.52 E-02 1.9 C 7 X S/ESD 35 35 0.022 0.0E+00 0.913E-02 2.46 LAYER 1 @@ -12109,12 +12109,12 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.024 0.041 +[31] 0.023 0.024 0.042 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.051 0.043 0.102 +[31] 0.051 0.044 0.103 [03] Reversals @@ -12170,57 +12170,57 @@ All cycle Min function 0.0 0.28E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.031 +[31] 0.025 0.032 0.032 [37] C 2. 1.00 1.00 0.76 0.12 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.031 0.029 +[31] 0.027 0.031 0.029 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.022 +[31] 0.019 0.025 0.023 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.040 0.041 +[31] 0.033 0.040 0.041 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.017 0.022 0.021 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.033 0.030 +[31] 0.027 0.033 0.030 [37] C 7. 1.00 1.00 0.77 0.11 0.32 0.02 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.032 0.028 +[31] 0.026 0.032 0.029 [37] O 8. 1.00 1.00 0.51 0.11 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.026 0.023 +[31] 0.021 0.026 0.023 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.032 0.032 +[31] 0.027 0.032 0.033 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.034 0.032 +[31] 0.027 0.035 0.032 [37] C 11. 1.00 1.00 1.09 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.039 0.039 +[31] 0.029 0.039 0.039 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -12302,8 +12302,8 @@ LS-scale= 1.179 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.056 0.2E+00 0.353E-01 1.60 SCALE S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 1 S/ESD 35 35 0.036 0.2E+01 0.899E-02 4.04 LAYER 7 @@ -12356,12 +12356,12 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.016 +[31] 0.009 0.009 0.017 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.044 +[31] 0.020 0.020 0.044 [03] Reversals @@ -12417,57 +12417,57 @@ Inter cycle Rw -5.0 4.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.022 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.021 0.021 +[31] 0.018 0.022 0.022 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.018 0.016 +[31] 0.013 0.018 0.016 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.026 +[31] 0.022 0.028 0.027 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.014 +[31] 0.012 0.015 0.015 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.023 0.022 +[31] 0.018 0.023 0.022 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.024 0.021 +[31] 0.019 0.024 0.021 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.017 +[31] 0.015 0.019 0.018 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.023 0.022 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.023 0.022 +[31] 0.019 0.024 0.023 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.027 0.026 +[31] 0.021 0.027 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -12549,8 +12549,8 @@ LS-scale= 1.202 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.55E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.55E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 0.064 0.1E+01 0.345E-01 1.85 SCALE S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 1 S/ESD 35 35 0.041 0.1E+01 0.892E-02 4.65 LAYER 7 @@ -12603,12 +12603,12 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -12664,57 +12664,57 @@ Inter cycle Rw -5.0 2.9 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.020 +[31] 0.017 0.021 0.021 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.020 +[31] 0.018 0.021 0.021 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.016 0.015 +[31] 0.012 0.017 0.015 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.026 0.025 +[31] 0.022 0.026 0.025 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.014 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.020 +[31] 0.018 0.022 0.020 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.019 +[31] 0.017 0.022 0.020 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.015 +[31] 0.014 0.017 0.016 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.021 0.021 +[31] 0.018 0.021 0.021 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.021 +[31] 0.018 0.022 0.021 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.025 0.025 +[31] 0.020 0.025 0.025 [84] Mean C-C su = 0.02 #CYCLENDS #LIST 12 @@ -12809,8 +12809,8 @@ LS-scale= 1.229 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 7.66E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 6E+01 rel. error: 8E-06 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 6.1 SCALE [14] S/ESD 13 13 0.011 0.0E+00 0.30 E-02 3.7 O 3 U[ISO] [14] S/ESD 17 17 0.011 0.0E+00 0.50 E-02 2.2 C 4 U[ISO] @@ -12862,12 +12862,12 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.004 +[31] 0.004 0.005 0.005 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [03] Reversals @@ -12923,57 +12923,57 @@ All cycle Min function 0.0 0.20E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.016 0.020 0.019 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.019 +[31] 0.017 0.019 0.019 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.015 0.014 +[31] 0.012 0.016 0.014 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.024 0.023 +[31] 0.021 0.024 0.024 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.012 +[31] 0.011 0.013 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.018 +[31] 0.017 0.020 0.019 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.019 0.018 +[31] 0.017 0.020 0.018 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.015 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.020 0.020 [37] C 10. 1.00 1.00 0.82 -0.08 0.17 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.020 0.019 +[31] 0.017 0.021 0.020 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.024 0.023 +[31] 0.019 0.024 0.024 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13055,8 +13055,8 @@ LS-scale= 1.362 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.93E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.93E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 [13] LARGE 1 1 0.1 0.4E+00 0.5 E-01 2.3 SCALE S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.852E-02 6.26 LAYER 7 @@ -13107,12 +13107,12 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.003 0.004 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.009 0.008 +[31] 0.005 0.009 0.009 [03] Reversals @@ -13168,57 +13168,57 @@ Inter cycle Rw -5.0 5.7 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.018 0.018 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.017 +[31] 0.016 0.018 0.018 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.014 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.023 0.022 +[31] 0.019 0.024 0.022 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.013 +[31] 0.011 0.015 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.015 0.014 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.018 0.018 +[31] 0.016 0.019 0.018 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.021 0.020 +[31] 0.017 0.022 0.020 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13300,8 +13300,8 @@ LS-scale= 1.411 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.91E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 1 S/ESD 46 46 0.053 0.1E+01 0.830E-02 6.41 LAYER 7 S/ESD 48 48 -0.048 0.1E+01 0.840E-02 -5.67 LAYER 3 @@ -13353,12 +13353,12 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.006 0.006 +[31] 0.003 0.006 0.006 [03] Reversals @@ -13414,57 +13414,57 @@ Inter cycle Rw -5.0 3.3 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.016 +[31] 0.014 0.017 0.016 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.016 +[31] 0.016 0.017 0.016 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.012 +[31] 0.011 0.013 0.013 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.022 0.020 +[31] 0.018 0.022 0.021 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.011 0.014 0.013 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.012 0.013 0.012 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.013 0.014 0.013 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.016 +[31] 0.015 0.018 0.017 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.016 +[31] 0.015 0.017 0.017 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.020 0.019 +[31] 0.016 0.021 0.019 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -13546,8 +13546,8 @@ LS-scale= 1.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.87E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 7.87E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 1 S/ESD 46 46 0.050 0.9E+00 0.807E-02 6.14 LAYER 7 S/ESD 48 48 -0.044 0.9E+00 0.823E-02 -5.32 LAYER 3 @@ -13599,12 +13599,12 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -13660,57 +13660,57 @@ Inter cycle Rw -5.0 3.0 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.015 0.014 +[31] 0.013 0.015 0.015 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.011 +[31] 0.010 0.011 0.011 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.018 +[31] 0.017 0.020 0.019 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.011 +[31] 0.010 0.012 0.011 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.011 0.012 0.011 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 1.00 0.51 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 9. 1.00 1.00 0.85 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.015 +[31] 0.014 0.015 0.015 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.017 +[31] 0.015 0.019 0.017 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -13807,8 +13807,8 @@ LS-scale= 1.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.20E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 1 1 0.3 0.0E+00 0.5 E-01 5.3 SCALE [13] LARGE 2 2 369.9 0.0E+00 0.4 E+02 8.7 EXTPARAM [14] S/ESD 15 15 0.026 0.0E+00 0.51 E-02 5.1 O 3 U[11] @@ -13871,15 +13871,15 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [38] Mean 46.29 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 130. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 369. 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.02 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13935,57 +13935,57 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14067,8 +14067,8 @@ LS-scale= 1.542 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.1 0.6E+00 0.5 E-01 3.4 SCALE [43] Resetting shift for Extinction Shift= 311. Esd= 6 New shift= 74.0 [13] LARGE 2 2 73.9 0.8E+00 0.6 E+02 4.5 EXTPARAM @@ -14123,15 +14123,15 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [38] Mean 9.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 26. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 74. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14187,57 +14187,57 @@ Inter cycle Rw -5.0 7.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -14878,8 +14878,8 @@ LS-scale= 1.605 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.92E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [43] Resetting shift for Extinction Shift= 156. Esd= 7 New shift= 88.8 [13] LARGE 2 2 88.7 0.0E+00 0.7 E+02 2.1 EXTPARAM S/ESD 69 69 0.039 0.0E+00 0.708E-02 5.48 LAYER 1 @@ -14928,15 +14928,15 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [38] Mean 11.10 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 31. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 88. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14992,57 +14992,57 @@ All cycle Min function 0.0 0.56E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15124,8 +15124,8 @@ LS-scale= 1.593 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.00E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.00E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.069 -0.2E+01 0.505E-01 1.36 SCALE [43] Resetting shift for Extinction Shift= 186. Esd= 7 New shift= 106.5 [13] LARGE 2 2 106.5 0.2E+01 0.7 E+02 2.6 EXTPARAM @@ -15179,15 +15179,15 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [38] Mean 13.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 37. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 106. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15243,57 +15243,57 @@ Inter cycle Rw -5.0 2.5 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15375,8 +15375,8 @@ LS-scale= 1.615 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.08E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3.08E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 3E+02 rel. error: 3E-05 S/ESD 1 1 0.053 0.8E+00 0.498E-01 1.06 SCALE [43] Resetting shift for Extinction Shift= 166. Esd= 7 New shift= 127.8 [13] LARGE 2 2 127.8 0.2E+01 0.7 E+02 2.2 EXTPARAM @@ -15426,15 +15426,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean 15.99 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 45. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 127. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15490,57 +15490,57 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.63 0.33 0.09 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.51 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GHGUI.org/neutron.out b/test_suite/MIN64GHGUI.org/neutron.out index 734f3484f..505a508e7 100644 --- a/test_suite/MIN64GHGUI.org/neutron.out +++ b/test_suite/MIN64GHGUI.org/neutron.out @@ -395,8 +395,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -438,15 +438,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -491,97 +491,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -663,8 +663,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -708,12 +708,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -758,97 +758,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -930,8 +930,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -972,15 +972,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -1025,97 +1025,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1199,8 +1199,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1240,12 +1240,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -1290,97 +1290,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1462,8 +1462,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1507,12 +1507,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -1557,97 +1557,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1729,8 +1729,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -1774,12 +1774,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1824,97 +1824,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1996,8 +1996,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -2034,15 +2034,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2087,97 +2087,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -2274,8 +2274,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -2331,15 +2331,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2384,97 +2384,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2556,8 +2556,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -2600,15 +2600,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -2653,97 +2653,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2826,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -2866,15 +2866,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -2919,97 +2919,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3091,8 +3091,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -3138,12 +3138,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -3188,97 +3188,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4021,8 +4021,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -4061,15 +4061,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4114,97 +4114,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4286,8 +4286,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -4330,15 +4330,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4383,97 +4383,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4555,8 +4555,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -4599,15 +4599,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4652,97 +4652,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -5128,8 +5128,8 @@ LS-scale= 0.293 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 [14] S/ESD 12 12 0.010 0.0E+00 0.11 E-02 8.8 C 1 Z [14] S/ESD 42 42 0.010 0.0E+00 0.18 E-02 5.4 C 9 X [14] S/ESD 47 47 -0.027 0.0E+00 0.12 E-01 -2.1 H 81 U[ISO] @@ -5171,15 +5171,15 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.019 +[31] 0.004 0.004 0.019 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.046 0.054 0.050 +[31] 0.046 0.054 0.050 [70] Maximum 0. 0.00 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.084 0.093 +[31] 0.080 0.084 0.093 [03] Reversals @@ -5224,97 +5224,97 @@ All cycle Min function 0.0 0.53E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.24 0.11 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.011 +[31] 0.011 0.010 0.011 [37] BR 2. 1.00 1.00 0.36 -0.20 0.46 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 1. 1.00 1.00 0.24 0.04 0.59 0.01 [73] 0.00 0.00 0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 4. 1.00 1.00 0.22 -0.03 0.32 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 5. 1.00 1.00 0.18 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.012 [37] C 6. 1.00 1.00 0.17 0.10 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 7. 1.00 1.00 0.36 -0.10 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.014 [37] C 8. 1.00 1.00 0.22 -0.07 0.14 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.03 [73] 0.00 0.01 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.014 +[31] 0.015 0.013 0.014 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.05 [73] 0.00 0.00 0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0067 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5396,8 +5396,8 @@ LS-scale= 0.288 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 4. @@ -5441,12 +5441,12 @@ Inter cycle Rw -5.0 16. 0.10E+03 [89] 0.00 0.00 0.01 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.037 0.048 +[31] 0.025 0.038 0.048 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.062 0.068 +[31] 0.042 0.062 0.068 [03] Reversals @@ -5491,97 +5491,97 @@ Inter cycle Rw -5.0 16. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.30 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 3. 1.00 1.00 0.29 -0.08 0.45 0.00 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 8. 1.00 1.00 0.22 -0.07 0.15 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0069 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5663,8 +5663,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 9E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -5705,15 +5705,15 @@ Inter cycle Rw -5.0 14. 0.10E+03 [38] Mean 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.005 +[31] -0.002 0.001 0.006 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.017 +[31] 0.010 0.006 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.027 +[31] 0.019 0.015 0.027 [03] Reversals @@ -5758,97 +5758,97 @@ Inter cycle Rw -5.0 14. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 5. 1.00 1.00 0.17 0.05 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0016 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0019 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5932,8 +5932,8 @@ LS-scale= 0.291 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -5973,12 +5973,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -6023,97 +6023,97 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6195,8 +6195,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6240,12 +6240,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [03] Reversals @@ -6290,97 +6290,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6462,8 +6462,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6507,12 +6507,12 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6557,97 +6557,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6729,8 +6729,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.15E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.15E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -6767,15 +6767,15 @@ All cycle Rw 0.0 12. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6820,97 +6820,97 @@ All cycle Rw 0.0 12. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -7007,8 +7007,8 @@ LS-scale= 0.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.017 0.0E+00 0.198E-02 8.67 SCALE [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 14.8 EXTPARAM @@ -7064,15 +7064,15 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7117,97 +7117,97 @@ All cycle Min function 0.0 0.36E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7289,8 +7289,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.18E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.18E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.3E+02 0.2 E+00 19.2 EXTPARAM @@ -7333,15 +7333,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [03] Reversals @@ -7386,97 +7386,97 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7559,8 +7559,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.25E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.25E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.5 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 18.9 EXTPARAM @@ -7599,15 +7599,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7652,97 +7652,97 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7824,8 +7824,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.34E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.34E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.3 E+00 18.3 EXTPARAM @@ -7871,12 +7871,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -7921,97 +7921,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8752,8 +8752,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.43E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.43E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.3 E+00 17.6 EXTPARAM @@ -8792,15 +8792,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8845,97 +8845,97 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9017,8 +9017,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.55E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.55E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.3 E+00 16.8 EXTPARAM @@ -9061,15 +9061,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9114,97 +9114,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9286,8 +9286,8 @@ LS-scale= 0.313 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.67E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.67E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 5.6 Esd= 0.3 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.3 E+00 15.8 EXTPARAM @@ -9330,15 +9330,15 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9383,97 +9383,97 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -9838,8 +9838,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -9900,15 +9900,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -9953,97 +9953,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -10125,8 +10125,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -10179,12 +10179,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -10229,97 +10229,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10401,8 +10401,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -10446,12 +10446,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -10496,97 +10496,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10670,8 +10670,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10711,12 +10711,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -10761,97 +10761,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10933,8 +10933,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -10975,15 +10975,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11028,97 +11028,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11200,8 +11200,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -11238,15 +11238,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11291,97 +11291,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -11478,8 +11478,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -11538,15 +11538,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -11591,97 +11591,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -11763,8 +11763,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -11810,12 +11810,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -11860,97 +11860,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12033,8 +12033,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -12073,15 +12073,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12126,97 +12126,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12298,8 +12298,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -12342,15 +12342,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12395,97 +12395,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13251,8 +13251,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -13291,15 +13291,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13344,97 +13344,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13516,8 +13516,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -13560,15 +13560,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13613,97 +13613,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13785,8 +13785,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -13829,15 +13829,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -13882,97 +13882,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -14337,8 +14337,8 @@ LS-scale= 0.191 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.67E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.0 0.0E+00 0.2 E-02 15.8 SCALE [14] S/ESD 3 3 -0.012 0.0E+00 0.14 E-02 -8.4 BR 1 Y [14] S/ESD 5 5 0.011 0.0E+00 0.37 E-02 3.1 BR 1 U[ISO] @@ -14399,15 +14399,15 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [38] Mean 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.001 0.046 +[31] -0.001 0.001 0.046 [71] R.M.S. 0. 0.00 0.02 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.124 0.127 +[31] 0.095 0.125 0.128 [70] Maximum 0. 0.00 0.06 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.146 0.197 0.222 +[31] 0.147 0.198 0.223 [03] Reversals @@ -14452,97 +14452,97 @@ All cycle Min function 0.0 0.36E+05 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.03 [73] 0.00 0.00 -0.01 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.022 0.021 0.022 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.02 [73] 0.00 -0.01 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.025 +[31] 0.025 0.024 0.025 [37] C 1. 1.00 1.00 0.24 0.04 0.61 0.01 [73] 0.00 0.00 0.00 0.02 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.021 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.02 [73] 0.00 -0.01 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.019 +[31] 0.021 0.021 0.019 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 -0.00 -0.00 0.01 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.019 0.020 +[31] 0.021 0.020 0.021 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.02 [73] 0.00 0.01 0.00 -0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.019 0.020 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.02 [73] 0.00 -0.00 0.00 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 6. 1.00 1.00 0.17 0.09 0.46 0.02 [73] 0.00 0.00 -0.01 0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.021 0.021 0.020 [37] C 7. 1.00 1.00 0.36 -0.09 0.75 0.02 [73] 0.00 0.01 0.01 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.027 0.027 0.027 +[31] 0.028 0.027 0.027 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.04 [73] 0.00 -0.01 0.00 0.01 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.026 0.025 0.025 [37] C 9. 1.00 1.00 0.12 0.19 0.46 0.03 [73] 0.00 0.01 -0.01 -0.01 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.027 0.028 +[31] 0.029 0.028 0.028 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.02 [73] 0.00 0.00 0.00 0.00 -0.05 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.06 [73] 0.00 0.00 0.00 0.00 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 -0.0055 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0132 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -14624,8 +14624,8 @@ LS-scale= 0.287 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 5 5 -0.019 -0.2E+01 0.15 E-02 -12.8 BR 1 U[ISO] [14] S/ESD 17 17 -0.011 -0.2E+01 0.12 E-02 -9.1 C 2 U[ISO] [14] S/ESD 25 25 -0.017 -0.1E+01 0.13 E-02 -12.6 C 4 U[ISO] @@ -14678,12 +14678,12 @@ Inter cycle Rw -5.0 31. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.037 0.028 +[31] 0.025 0.037 0.028 [70] Maximum 0. 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.068 0.069 +[31] 0.056 0.069 0.069 [03] Reversals @@ -14728,97 +14728,97 @@ Inter cycle Rw -5.0 31. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.00 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.00 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.00 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.00 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 5. 1.00 1.00 0.17 0.05 0.31 0.01 [73] 0.00 0.00 -0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.008 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.01 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 -0.00 0.00 -0.03 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.01 [73] 0.00 -0.00 0.00 -0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.03 [73] 0.00 0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.02 [22] 0.00 0.0000 0.0000 0.0000 -0.0054 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0035 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14900,8 +14900,8 @@ LS-scale= 0.284 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.33E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1.33E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 1E+02 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 3. @@ -14945,12 +14945,12 @@ Inter cycle Rw -5.0 18. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.005 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.010 +[31] 0.014 0.015 0.010 [03] Reversals @@ -14995,97 +14995,97 @@ Inter cycle Rw -5.0 18. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.46 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.45 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0023 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0016 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15169,8 +15169,8 @@ LS-scale= 0.289 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.17E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.17E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15210,12 +15210,12 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -15260,97 +15260,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15432,8 +15432,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15474,15 +15474,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15527,97 +15527,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15699,8 +15699,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-05 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1.16E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 10E+01 rel. error: 1E-05 for 53 parameters [64] The rms (shift/su) = 0. @@ -15737,15 +15737,15 @@ All cycle Rw 0.0 21. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15790,97 +15790,97 @@ All cycle Rw 0.0 21. 0.10E+03 [37] BR 1. 1.00 1.00 0.25 0.10 0.79 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 1.00 0.35 -0.20 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 1.00 0.24 0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 2. 1.00 1.00 0.29 -0.04 0.60 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 3. 1.00 1.00 0.28 -0.08 0.45 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 4. 1.00 1.00 0.22 -0.03 0.31 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 5. 1.00 1.00 0.17 0.06 0.32 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 1.00 0.17 0.10 0.46 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 7. 1.00 1.00 0.36 -0.09 0.76 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 1.00 0.21 -0.07 0.15 0.01 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 1.00 0.11 0.20 0.46 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 1.00 0.12 0.10 0.20 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 1.00 0.17 -0.02 0.06 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 1.00 0.35 -0.09 0.16 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 1.00 0.12 -0.13 0.12 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 1.00 0.06 0.22 0.33 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 1.00 0.23 0.24 0.53 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 1.00 0.00 0.20 0.50 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0014 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -15977,8 +15977,8 @@ LS-scale= 0.290 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.010 0.0E+00 0.106E-02 9.55 SCALE [44] Resetting shift for Extinction Shift= 5.1 Esd= 0.3 New shift= 0.20 [13] LARGE 2 2 0.2 0.0E+00 0.3 E+00 16.6 EXTPARAM @@ -16037,15 +16037,15 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [38] Mean 0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.003 0.002 0.006 +[31] 0.003 0.003 0.006 [03] Reversals @@ -16090,97 +16090,97 @@ All cycle Min function 0.0 0.29E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0043 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16262,8 +16262,8 @@ LS-scale= 0.307 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.51E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.51E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.7 Esd= 0.2 New shift= 0.24 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 22.0 EXTPARAM @@ -16309,12 +16309,12 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [03] Reversals @@ -16359,97 +16359,97 @@ Inter cycle Rw -5.0 5.5 0.10E+03 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16532,8 +16532,8 @@ LS-scale= 0.309 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.48E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.48E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.29 [13] LARGE 2 2 0.2 0.2E+02 0.2 E+00 21.7 EXTPARAM @@ -16572,15 +16572,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16625,97 +16625,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16797,8 +16797,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.56E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.56E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.8 Esd= 0.2 New shift= 0.35 [13] LARGE 2 2 0.3 0.2E+02 0.2 E+00 21.1 EXTPARAM @@ -16841,15 +16841,15 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [38] Mean 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16894,97 +16894,97 @@ All cycle Min function 0.0 0.14E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17750,8 +17750,8 @@ LS-scale= 0.310 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.66E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 7.66E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 6E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.41 [13] LARGE 2 2 0.4 0.0E+00 0.2 E+00 20.4 EXTPARAM @@ -17790,15 +17790,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17843,97 +17843,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18015,8 +18015,8 @@ LS-scale= 0.311 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.78E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.78E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.50 [13] LARGE 2 2 0.4 0.1E+02 0.2 E+00 19.5 EXTPARAM @@ -18059,15 +18059,15 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [38] Mean 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18112,97 +18112,97 @@ All cycle Min function 0.0 0.13E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18284,8 +18284,8 @@ LS-scale= 0.312 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.91E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 7.91E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 7E+02 rel. error: 8E-05 [44] Resetting shift for Extinction Shift= 4.9 Esd= 0.2 New shift= 0.60 [13] LARGE 2 2 0.5 0.1E+02 0.2 E+00 18.4 EXTPARAM @@ -18328,15 +18328,15 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [38] Mean 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18381,97 +18381,97 @@ All cycle Min function 0.0 0.12E+04 0.10E+16 [37] BR 1. 1.00 0.00 0.25 0.10 0.79 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] BR 2. 1.00 0.00 0.35 -0.20 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 1. 1.00 0.00 0.24 0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 2. 1.00 0.00 0.29 -0.04 0.60 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.28 -0.08 0.45 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 4. 1.00 0.00 0.22 -0.03 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.17 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.17 0.10 0.46 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.36 -0.09 0.76 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 8. 1.00 0.00 0.21 -0.07 0.15 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.11 0.20 0.46 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] H 51. 1.00 0.00 0.12 0.10 0.20 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 81. 1.00 0.00 0.17 -0.02 0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 82. 1.00 0.00 0.35 -0.09 0.16 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 83. 1.00 0.00 0.12 -0.13 0.12 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 91. 1.00 0.00 0.06 0.22 0.33 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 92. 1.00 0.00 0.23 0.24 0.53 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 93. 1.00 0.00 0.00 0.20 0.50 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] H 70. 3.00 4.00 0.38 -0.11 0.80 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 [22] 0.00 0.0000 0.0000 0.0000 0.0010 0.0000 0.0000 0.0000 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GHGUI.org/partial.out b/test_suite/MIN64GHGUI.org/partial.out index 1035d4548..ccb6d1ac1 100644 --- a/test_suite/MIN64GHGUI.org/partial.out +++ b/test_suite/MIN64GHGUI.org/partial.out @@ -363,8 +363,8 @@ LS-scale= 6.428 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.71E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 5.71E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 5E+03 rel. error: 6E-04 S/ESD 1 1 -0.192 0.0E+00 0.182E-01 -10.60 SCALE [14] S/ESD 52 52 -0.033 0.0E+00 0.22 E-01 -1.4 C 5 U[33] [14] S/ESD 54 54 -0.013 0.0E+00 0.12 E-01 -1.1 C 5 U[13] @@ -430,12 +430,12 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.028 0.044 +[31] 0.044 0.028 0.044 [70] Maximum 0. 0.00 0.00 0.01 0.01 0.01 0.13 0.05 0.11 0.08 0.03 0.10 -[31] 0.189 0.127 0.136 +[31] 0.189 0.128 0.137 [03] Reversals @@ -480,167 +480,167 @@ All cycle Min function 0.0 0.19E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.01 0.01 -[31] 0.030 0.031 0.025 +[31] 0.030 0.031 0.025 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.028 0.039 +[31] 0.033 0.028 0.040 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.029 0.033 +[31] 0.035 0.029 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 -[31] 0.028 0.040 0.043 +[31] 0.028 0.040 0.044 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.025 0.039 +[31] 0.033 0.026 0.040 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.03 -[31] 0.040 0.043 0.031 +[31] 0.041 0.044 0.032 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.036 0.025 0.049 +[31] 0.036 0.025 0.050 [37] C 13. 1.00 0.00 -0.16 -0.29 0.04 0.65 [37] 0.00 0.01 -0.01 0.00 0.13 0.05 0.00 -0.01 0.02 -0.10 [37] 0.00 0.00 0.00 0.00 0.10 0.08 0.03 0.04 0.05 0.08 -[31] 0.083 0.063 0.052 +[31] 0.083 0.064 0.052 [37] C 14. 1.00 0.00 -0.34 0.00 -0.11 0.12 [37] 0.00 0.00 0.00 -0.01 0.00 0.02 0.11 -0.08 0.03 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.07 0.06 0.04 0.03 -[31] 0.047 0.053 0.074 +[31] 0.048 0.053 0.075 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.13 [37] 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.04 0.02 0.02 0.01 -[31] 0.040 0.027 0.049 +[31] 0.040 0.028 0.050 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.024 +[31] 0.028 0.022 0.025 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.021 +[31] 0.022 0.017 0.021 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.016 0.022 +[31] 0.022 0.017 0.022 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.017 0.021 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.022 0.018 0.025 +[31] 0.022 0.018 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -[31] 0.023 0.018 0.027 +[31] 0.023 0.018 0.027 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.017 0.023 +[31] 0.022 0.017 0.024 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.020 +[31] 0.020 0.016 0.020 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.016 0.021 +[31] 0.021 0.017 0.021 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.025 0.022 0.025 +[31] 0.025 0.023 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.025 0.023 0.024 +[31] 0.026 0.024 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.026 0.031 +[31] 0.028 0.026 0.032 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.028 0.024 0.032 +[31] 0.028 0.024 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.024 0.033 +[31] 0.033 0.025 0.034 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.023 0.028 +[31] 0.030 0.023 0.029 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.027 0.019 0.032 +[31] 0.028 0.020 0.032 [37] C 122. 1.00 0.00 0.26 0.31 -0.06 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.024 0.018 0.026 +[31] 0.025 0.019 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.024 0.029 +[31] 0.030 0.024 0.030 [37] C 124. 1.00 0.00 0.54 -0.54 0.58 0.14 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.03 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.032 0.023 0.036 +[31] 0.033 0.023 0.036 [37] O 109. 1.00 0.00 0.50 -0.41 0.58 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.014 0.019 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.014 +[31] 0.016 0.012 0.015 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.019 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.043 0.091 0.464 0.199 0.122 0.977 Might be split @@ -728,8 +728,8 @@ LS-scale= 6.236 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.30E-04 +[80a] Block No 1. Single precision relative error: 8E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8E-04 S/ESD 1 1 0.022 -0.1E+00 0.160E-01 1.36 SCALE [14a] LARGE 77 77 0.060 0.4E+00 0.10 E+00 0.5 C 13 U[11] [14] S/ESD 230 230 0.011 -0.5E+00 0.97 E-02 1.1 C 120 U[11] @@ -776,12 +776,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.012 +[31] 0.011 0.009 0.013 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.06 0.03 0.02 0.01 0.01 0.04 -[31] 0.053 0.032 0.055 +[31] 0.053 0.032 0.055 [03] Reversals @@ -826,167 +826,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.028 0.021 +[31] 0.028 0.028 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.027 0.039 +[31] 0.033 0.027 0.039 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.030 0.033 +[31] 0.036 0.030 0.033 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 -[31] 0.026 0.038 0.038 +[31] 0.026 0.038 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.022 0.031 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.029 +[31] 0.038 0.042 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.023 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.71 [37] 0.00 0.00 0.00 0.00 0.06 0.03 0.00 0.00 0.00 -0.04 [37] 0.00 0.00 0.00 0.00 0.10 0.07 0.02 0.03 0.04 0.08 -[31] 0.084 0.061 0.047 +[31] 0.084 0.061 0.047 [37] C 14. 1.00 0.00 -0.34 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.06 0.08 0.06 0.04 0.03 -[31] 0.043 0.050 0.074 +[31] 0.043 0.051 0.074 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.046 +[31] 0.038 0.026 0.046 [37] C 101. 1.00 0.00 0.35 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.020 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.019 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.023 0.029 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.030 +[31] 0.027 0.022 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.031 +[31] 0.032 0.022 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.027 0.018 0.031 +[31] 0.027 0.019 0.031 [37] C 122. 1.00 0.00 0.26 0.31 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.017 0.026 +[31] 0.023 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.020 0.027 +[31] 0.028 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.15 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.033 0.020 0.037 +[31] 0.034 0.020 0.037 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.094 0.446 0.197 0.128 0.835 Might be split @@ -1074,8 +1074,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.06E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9.06E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1119,12 +1119,12 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.005 +[31] 0.005 0.003 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.00 -[31] 0.019 0.013 0.016 +[31] 0.020 0.013 0.017 [03] Reversals @@ -1169,167 +1169,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.028 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.028 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.038 0.039 +[31] 0.025 0.038 0.040 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.023 0.033 +[31] 0.030 0.024 0.034 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.042 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.047 +[31] 0.035 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.063 0.048 +[31] 0.088 0.064 0.048 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.04 0.03 -[31] 0.046 0.051 0.078 +[31] 0.046 0.051 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.026 0.047 +[31] 0.039 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.016 0.022 +[31] 0.021 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.026 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.024 0.022 0.023 +[31] 0.024 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.022 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.022 0.032 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.021 0.026 +[31] 0.027 0.021 0.026 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.25 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.021 0.039 +[31] 0.035 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.049 0.095 0.447 0.197 0.128 0.859 Might be split @@ -1417,8 +1417,8 @@ LS-scale= 6.258 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.99E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.99E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -1459,15 +1459,15 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.004 +[31] 0.002 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -[31] 0.006 0.005 0.018 +[31] 0.007 0.006 0.018 [03] Reversals @@ -1512,167 +1512,167 @@ All cycle Min function 0.0 0.15E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.027 0.028 0.022 +[31] 0.028 0.029 0.022 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.026 0.036 +[31] 0.032 0.026 0.036 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.028 0.031 +[31] 0.034 0.029 0.032 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.025 0.038 0.038 +[31] 0.025 0.039 0.039 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.023 0.032 +[31] 0.030 0.024 0.033 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.037 0.041 0.030 +[31] 0.038 0.041 0.030 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.034 0.023 0.048 +[31] 0.034 0.024 0.048 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.12 0.08 0.02 0.03 0.05 0.09 -[31] 0.088 0.064 0.048 +[31] 0.089 0.064 0.049 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.046 0.052 0.080 +[31] 0.047 0.052 0.080 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.039 0.027 0.046 +[31] 0.040 0.027 0.047 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.019 0.023 +[31] 0.025 0.020 0.023 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.015 0.018 +[31] 0.019 0.015 0.018 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.015 0.020 +[31] 0.020 0.015 0.020 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.019 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.016 0.024 +[31] 0.021 0.017 0.025 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.025 +[31] 0.022 0.017 0.025 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.021 0.016 0.022 +[31] 0.021 0.016 0.023 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.014 0.018 +[31] 0.018 0.015 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.019 +[31] 0.018 0.015 0.020 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.026 0.020 0.025 +[31] 0.026 0.021 0.026 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.022 0.024 +[31] 0.025 0.022 0.024 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.023 0.028 +[31] 0.026 0.024 0.029 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.027 0.022 0.031 +[31] 0.028 0.022 0.032 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.032 0.021 0.031 +[31] 0.032 0.022 0.032 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.021 0.025 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.026 0.018 0.030 +[31] 0.027 0.018 0.030 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.023 0.017 0.027 +[31] 0.023 0.017 0.027 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.021 0.028 +[31] 0.029 0.021 0.028 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.036 0.021 0.041 +[31] 0.036 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.012 0.017 +[31] 0.017 0.013 0.018 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.011 0.013 +[31] 0.014 0.011 0.014 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.017 +[31] 0.017 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.095 0.445 0.197 0.128 0.837 Might be split @@ -2418,8 +2418,8 @@ LS-scale= 6.259 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.90E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.90E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2459,12 +2459,12 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.005 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 0.00 -[31] 0.015 0.009 0.009 +[31] 0.016 0.009 0.009 [03] Reversals @@ -2509,167 +2509,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.025 0.034 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.01 0.01 -[31] 0.024 0.037 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.022 0.031 +[31] 0.029 0.023 0.032 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.01 0.02 0.01 -[31] 0.033 0.022 0.046 +[31] 0.033 0.023 0.046 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.15 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.06 0.09 0.06 0.05 0.03 -[31] 0.045 0.049 0.076 +[31] 0.046 0.050 0.077 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.038 0.026 0.044 +[31] 0.038 0.026 0.045 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.017 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.025 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.023 0.021 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.022 0.027 +[31] 0.025 0.023 0.027 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.026 0.021 0.030 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.021 0.030 +[31] 0.031 0.021 0.031 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.025 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 -[31] 0.035 0.020 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.825 Might be split @@ -2757,8 +2757,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.76E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.76E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -2799,15 +2799,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.002 0.011 +[31] 0.005 0.003 0.011 [03] Reversals @@ -2852,167 +2852,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.026 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.034 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.037 0.037 +[31] 0.024 0.037 0.037 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.030 +[31] 0.030 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.046 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.021 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.020 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.036 0.021 0.040 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.449 0.197 0.128 0.833 Might be split @@ -3100,8 +3100,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.95E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 8.95E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 8E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3142,15 +3142,15 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.004 0.002 0.005 [03] Reversals @@ -3195,167 +3195,167 @@ All cycle Min function 0.0 0.13E+06 0.10E+16 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.031 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.029 +[31] 0.033 0.027 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.038 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.72 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.062 0.046 +[31] 0.086 0.062 0.047 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.09 0.06 0.05 0.03 -[31] 0.046 0.048 0.078 +[31] 0.047 0.049 0.078 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.019 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.020 0.024 +[31] 0.025 0.021 0.025 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.028 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split @@ -3443,8 +3443,8 @@ LS-scale= 6.251 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.77E-04 -[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 8.77E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 3E+01 cond. number: 7E+03 rel. error: 9E-04 for 298 parameters [64] The rms (shift/su) = 0. @@ -3481,15 +3481,15 @@ All cycle Rw 0.0 15. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.002 0.005 [03] Reversals @@ -3534,167 +3534,167 @@ All cycle Rw 0.0 15. 0.10E+03 [37] RU 1. 1.00 0.00 0.00 0.00 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [37] C 1. 1.00 0.00 -0.13 -0.09 -0.30 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.027 0.027 0.021 +[31] 0.027 0.027 0.021 [37] C 2. 1.00 0.00 -0.11 -0.20 -0.18 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.025 0.033 +[31] 0.032 0.025 0.034 [37] C 3. 1.00 0.00 -0.17 -0.19 -0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.027 0.030 +[31] 0.033 0.028 0.030 [37] C 4. 1.00 0.00 -0.25 -0.06 -0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 -[31] 0.024 0.036 0.037 +[31] 0.024 0.037 0.038 [37] C 5. 1.00 0.00 -0.21 0.00 -0.28 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.022 0.031 +[31] 0.029 0.023 0.031 [37] C 11. 1.00 0.00 -0.09 -0.07 -0.44 0.15 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.036 0.039 0.029 +[31] 0.036 0.040 0.029 [37] C 12. 1.00 0.00 -0.02 -0.33 -0.15 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -[31] 0.033 0.023 0.046 +[31] 0.033 0.023 0.047 [37] C 13. 1.00 0.00 -0.15 -0.29 0.04 0.73 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.11 0.08 0.02 0.03 0.04 0.09 -[31] 0.085 0.061 0.046 +[31] 0.085 0.062 0.046 [37] C 14. 1.00 0.00 -0.35 0.00 -0.12 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.05 0.10 0.06 0.05 0.03 -[31] 0.047 0.048 0.078 +[31] 0.047 0.049 0.079 [37] C 15. 1.00 0.00 -0.26 0.12 -0.39 0.14 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 -[31] 0.037 0.026 0.044 +[31] 0.038 0.026 0.044 [37] C 101. 1.00 0.00 0.34 0.17 -0.20 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.024 0.019 0.022 +[31] 0.024 0.019 0.022 [37] C 103. 1.00 0.00 0.32 0.09 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.017 +[31] 0.018 0.015 0.017 [37] C 104. 1.00 0.00 0.32 -0.06 -0.01 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.019 +[31] 0.019 0.015 0.019 [37] C 105. 1.00 0.00 0.37 -0.15 0.14 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.014 0.018 +[31] 0.018 0.014 0.018 [37] C 106. 1.00 0.00 0.45 -0.26 0.16 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.020 0.016 0.023 +[31] 0.021 0.016 0.024 [37] C 107. 1.00 0.00 0.50 -0.35 0.31 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.021 0.015 0.024 +[31] 0.021 0.016 0.024 [37] C 108. 1.00 0.00 0.46 -0.33 0.43 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.020 0.015 0.021 +[31] 0.020 0.016 0.022 [37] C 110. 1.00 0.00 0.37 -0.22 0.40 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.013 0.017 +[31] 0.018 0.014 0.018 [37] C 113. 1.00 0.00 0.33 -0.13 0.26 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.018 +[31] 0.017 0.014 0.019 [37] C 115. 1.00 0.00 0.24 -0.01 0.23 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.025 0.019 0.024 +[31] 0.025 0.020 0.025 [37] C 116. 1.00 0.00 0.15 -0.01 0.31 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.023 +[31] 0.024 0.022 0.023 [37] C 117. 1.00 0.00 0.07 0.10 0.27 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -[31] 0.025 0.023 0.027 +[31] 0.025 0.023 0.028 [37] C 118. 1.00 0.00 0.07 0.21 0.16 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.026 0.020 0.030 +[31] 0.027 0.021 0.031 [37] C 119. 1.00 0.00 0.15 0.20 0.08 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -[31] 0.031 0.020 0.030 +[31] 0.031 0.021 0.030 [37] C 120. 1.00 0.00 0.23 0.08 0.11 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.024 +[31] 0.024 0.021 0.024 [37] C 121. 1.00 0.00 0.15 0.31 -0.03 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.025 0.017 0.029 +[31] 0.026 0.018 0.029 [37] C 122. 1.00 0.00 0.26 0.32 -0.07 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -[31] 0.022 0.016 0.026 +[31] 0.022 0.017 0.026 [37] C 123. 1.00 0.00 0.24 -0.32 0.54 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.020 0.026 +[31] 0.028 0.020 0.027 [37] C 124. 1.00 0.00 0.54 -0.54 0.59 0.16 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.01 0.02 0.01 -[31] 0.035 0.021 0.040 +[31] 0.035 0.021 0.041 [37] O 109. 1.00 0.00 0.49 -0.41 0.58 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.012 0.017 +[31] 0.017 0.012 0.017 [37] O 111. 1.00 0.00 0.34 -0.20 0.54 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.010 0.013 +[31] 0.014 0.011 0.013 [37] N 102. 1.00 0.00 0.26 0.16 -0.12 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.016 +[31] 0.016 0.013 0.017 [84] Mean C-C su = 0.02 The following atoms should be carefully examined [24] C 11. 0.050 0.093 0.450 0.197 0.128 0.835 Might be split diff --git a/test_suite/MIN64GHGUI.org/sgd464.out b/test_suite/MIN64GHGUI.org/sgd464.out index b347b90ef..ec16f1ce4 100644 --- a/test_suite/MIN64GHGUI.org/sgd464.out +++ b/test_suite/MIN64GHGUI.org/sgd464.out @@ -172,10 +172,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.7 0.0E+00 0.2 E+01 -0.3 ENANTIO [14] S/ESD 6 6 -0.018 0.0E+00 0.11 E-01 -1.7 CL 1 U[11] [14] S/ESD 24 24 0.021 0.0E+00 0.19 E-01 1.1 CL 3 U[11] @@ -218,15 +218,15 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [38] Mean -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.05 0.02 0.01 0.01 -[31] 0.010 0.016 0.015 +[31] 0.011 0.016 0.015 [03] Reversals @@ -271,147 +271,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.028 +[31] 0.030 0.030 0.028 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.099 0.096 0.090 +[31] 0.099 0.097 0.091 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.05 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.02 0.01 -[31] 0.040 0.040 0.052 +[31] 0.040 0.041 0.052 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.01 [37] 0.00 0.00 0.00 0.00 0.04 0.01 0.01 0.01 0.02 0.02 -[31] 0.049 0.044 0.035 +[31] 0.050 0.044 0.035 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.040 0.048 0.037 +[31] 0.040 0.049 0.038 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.061 0.054 +[31] 0.058 0.061 0.054 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.058 0.058 +[31] 0.060 0.059 0.059 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.043 0.044 +[31] 0.044 0.043 0.045 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.03 0.02 0.02 0.02 -[31] 0.068 0.061 0.064 +[31] 0.068 0.062 0.064 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.041 0.048 0.040 +[31] 0.042 0.049 0.040 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.060 0.061 0.061 +[31] 0.061 0.061 0.062 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.048 +[31] 0.049 0.053 0.049 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.059 0.062 0.055 +[31] 0.059 0.062 0.055 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.064 0.068 0.063 +[31] 0.065 0.069 0.063 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.045 0.045 0.045 +[31] 0.046 0.046 0.046 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.060 0.067 0.062 +[31] 0.061 0.067 0.063 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.061 0.066 0.060 +[31] 0.061 0.067 0.061 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.03 0.02 0.03 -[31] 0.066 0.075 0.068 +[31] 0.066 0.076 0.068 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.081 0.086 0.075 +[31] 0.082 0.086 0.075 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.078 0.086 0.073 +[31] 0.078 0.087 0.074 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.081 0.079 0.088 +[31] 0.082 0.079 0.088 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.065 0.069 0.070 +[31] 0.066 0.069 0.070 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.08 0.03 0.04 0.02 0.04 -[31] 0.076 0.110 0.069 +[31] 0.076 0.111 0.069 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.02 0.03 0.02 0.03 -[31] 0.067 0.081 0.061 +[31] 0.068 0.081 0.062 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.04 0.03 0.03 0.02 0.03 -[31] 0.068 0.076 0.074 +[31] 0.069 0.076 0.074 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.03 0.05 0.04 0.04 0.03 0.04 -[31] 0.073 0.098 0.078 +[31] 0.073 0.099 0.079 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.02 0.03 -[31] 0.077 0.093 0.066 +[31] 0.077 0.094 0.067 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.03 0.03 0.03 0.04 -[31] 0.089 0.087 0.074 +[31] 0.090 0.088 0.075 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.03 0.03 0.03 0.04 -[31] 0.077 0.091 0.071 +[31] 0.077 0.092 0.072 [84] Mean C-C su = 0.07 #CYCLENDS #SFLS @@ -495,10 +495,10 @@ LS-scale= 0.437 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.00E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.72E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.72E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+00 0.2 E+00 0.3 ENANTIO [14] S/ESD 24 24 0.010 0.5E+00 0.23 E-02 4.2 CL 3 U[11] [14] S/ESD 26 26 0.011 -0.2E+00 0.32 E-02 3.4 CL 3 U[33] @@ -538,15 +538,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.005 0.006 0.007 +[31] 0.006 0.006 0.008 [03] Reversals @@ -591,147 +591,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -815,10 +815,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.6E+00 0.2 E+00 -0.2 ENANTIO for 263 parameters @@ -856,15 +856,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.004 0.004 0.004 [03] Reversals @@ -909,147 +909,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1133,10 +1133,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.93E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.93E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -1177,12 +1177,12 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1227,147 +1227,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1451,10 +1451,10 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.94E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.94E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -1492,15 +1492,15 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.004 0.003 0.004 [03] Reversals @@ -1545,147 +1545,147 @@ All cycle Min function 0.0 0.33E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.003 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.12 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.21 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.010 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -1703,16 +1703,16 @@ ___________ Atom CL(1), basis: CL(1),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -4E-05 0E+00 -4E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 5E-05 0E+00 5E-05 1.0 Uc[2,3]==0 Atom CL(3), basis: CL(3),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom CL(4), basis: CL(4),C(2) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-04 0E+00 2E-04 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -1872,8 +1872,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.81E-04 +[80a] Block No 1. Single precision relative error: 10E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 10E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+00 -0.2 ENANTIO [14] S/ESD 168 168 -0.011 0.0E+00 0.89 E-02 -1.2 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.75 E-02 1.8 C 19 U[33] @@ -1918,12 +1918,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.011 0.013 0.015 +[31] 0.011 0.013 0.016 [03] Reversals @@ -1968,147 +1968,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.021 0.020 0.019 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.010 +[31] 0.008 0.008 0.011 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.007 +[31] 0.010 0.009 0.007 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.013 +[31] 0.014 0.013 0.013 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.013 0.013 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.013 0.011 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.013 0.014 0.013 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.012 +[31] 0.013 0.014 0.013 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.014 0.016 0.014 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.017 0.018 0.016 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.018 0.015 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.018 +[31] 0.017 0.016 0.018 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.022 0.014 +[31] 0.016 0.023 0.014 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.014 0.017 0.013 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.014 0.016 0.015 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.016 +[31] 0.015 0.020 0.016 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.019 0.014 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.015 +[31] 0.018 0.018 0.015 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.015 0.018 0.014 +[31] 0.016 0.019 0.015 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2192,10 +2192,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.16E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.15E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2.15E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 10E+03 rel. error: 2E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -2233,15 +2233,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -2286,147 +2286,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2510,8 +2510,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.05E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.05E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 0.4E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -2552,12 +2552,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2602,147 +2602,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -2826,8 +2826,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.07E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 -0.0 -0.5E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -2865,15 +2865,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.003 +[31] 0.002 0.003 0.004 [03] Reversals @@ -2918,147 +2918,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3142,8 +3142,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.15E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9.15E-04 +[80a] Block No 1. Single precision relative error: 9E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 8E+03 rel. error: 9E-04 [13] LARGE 2 2 0.0 -0.2E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -3184,12 +3184,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.003 0.004 +[31] 0.002 0.004 0.004 [03] Reversals @@ -3234,147 +3234,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -3392,12 +3392,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 3E-05 0E+00 3E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 -2E-05 0E+00 -2E-05 1.0 Uc[2,3]==0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,3]==0 -[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.00 Uc[2,3]==0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,3]==0 +[79] 1 1 0 0 0 4E-05 0E+00 4E-05 1.0 Uc[2,3]==0 ___________ (1) NO ___________ @@ -3557,10 +3557,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.73E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.23E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.23E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.11 E-01 1.1 C 19 U[33] [14] S/ESD 213 213 0.015 0.0E+00 0.80 E-02 1.8 C 24 U[11] @@ -3604,12 +3604,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.015 +[31] 0.011 0.014 0.015 [03] Reversals @@ -3654,147 +3654,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.029 +[31] 0.032 0.031 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.014 0.011 +[31] 0.016 0.015 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.019 0.019 0.019 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.020 +[31] 0.022 0.020 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.013 +[31] 0.013 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.017 0.015 +[31] 0.016 0.017 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.017 +[31] 0.019 0.020 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.020 +[31] 0.020 0.022 0.020 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.021 0.019 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.021 0.025 0.022 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.028 0.024 +[31] 0.026 0.028 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.028 0.024 +[31] 0.025 0.028 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.025 0.028 +[31] 0.027 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.022 0.022 +[31] 0.021 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.024 0.036 0.022 +[31] 0.025 0.036 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.022 0.026 0.020 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.024 0.024 +[31] 0.022 0.025 0.024 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.025 +[31] 0.024 0.032 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.025 0.030 0.021 +[31] 0.025 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.028 0.024 +[31] 0.029 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.023 +[31] 0.025 0.030 0.023 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -3878,10 +3878,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.83E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.41E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.41E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -3922,12 +3922,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.006 [03] Reversals @@ -3972,147 +3972,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4196,10 +4196,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.38E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.38E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.5E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4237,15 +4237,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.005 +[31] 0.003 0.003 0.005 [03] Reversals @@ -4290,147 +4290,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4514,10 +4514,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.91E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.55E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.55E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -4555,15 +4555,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -4608,147 +4608,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4832,10 +4832,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.82E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.39E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.39E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -4876,12 +4876,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -4926,147 +4926,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.009 0.009 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -5084,12 +5084,12 @@ ___________ Atom C(24), basis: C(24),C(29),C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 -1E-04 0E+00 -1E-04 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 1.0 Uc[2,3]=0 Atom C(25), basis: C(25),C(24),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.00 Uc[1,2]=0 -[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.00 Uc[2,3]=0 +[79] 1 1 0 0 0 2E-05 0E+00 2E-05 1.0 Uc[1,2]=0 +[79] 1 1 0 0 0 -3E-05 0E+00 -3E-05 1.0 Uc[2,3]=0 ___________ (1) NO ___________ @@ -5271,10 +5271,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.59E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.96E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.96E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 234 234 -0.022 0.0E+00 0.42 E-02 -5.2 C 26 U[23] [14] S/ESD 252 252 0.013 0.0E+00 0.38 E-02 3.4 C 28 U[23] @@ -5318,12 +5318,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.02 0.00 0.01 -[31] 0.009 0.013 0.015 +[31] 0.010 0.013 0.016 [03] Reversals @@ -5368,147 +5368,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.021 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.04 0.04 0.03 0.03 0.03 0.03 -[31] 0.071 0.069 0.065 +[31] 0.072 0.070 0.066 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.03 0.01 0.01 0.01 -[31] 0.028 0.029 0.037 +[31] 0.029 0.029 0.038 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.01 0.01 0.01 0.02 -[31] 0.035 0.032 0.025 +[31] 0.036 0.032 0.025 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.035 0.027 +[31] 0.029 0.035 0.027 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.044 0.039 +[31] 0.042 0.044 0.039 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.042 0.042 +[31] 0.043 0.042 0.042 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.031 0.032 +[31] 0.032 0.031 0.032 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.049 0.044 0.046 +[31] 0.049 0.044 0.046 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.035 0.029 +[31] 0.030 0.035 0.029 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.044 0.044 +[31] 0.044 0.044 0.045 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.038 0.035 +[31] 0.035 0.038 0.035 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.042 0.045 0.039 +[31] 0.043 0.045 0.040 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.02 -[31] 0.046 0.049 0.045 +[31] 0.047 0.050 0.046 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.033 +[31] 0.033 0.033 0.033 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.043 0.048 0.045 +[31] 0.044 0.048 0.045 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.044 0.048 0.043 +[31] 0.044 0.048 0.044 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.054 0.049 +[31] 0.048 0.055 0.049 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.058 0.062 0.054 +[31] 0.059 0.062 0.055 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.056 0.062 0.053 +[31] 0.057 0.063 0.053 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.057 0.063 +[31] 0.059 0.057 0.064 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.047 0.050 0.050 +[31] 0.048 0.050 0.051 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.03 -[31] 0.055 0.080 0.049 +[31] 0.055 0.080 0.050 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.00 0.00 -[31] 0.048 0.058 0.044 +[31] 0.049 0.059 0.045 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.049 0.054 0.053 +[31] 0.050 0.055 0.054 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.052 0.071 0.056 +[31] 0.053 0.071 0.057 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.01 0.00 -[31] 0.055 0.067 0.048 +[31] 0.056 0.068 0.048 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.00 0.01 0.00 -[31] 0.064 0.063 0.054 +[31] 0.065 0.063 0.054 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 -[31] 0.055 0.066 0.052 +[31] 0.056 0.066 0.052 [84] Mean C-C su = 0.05 #CYCLENDS #SFLS @@ -5592,10 +5592,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.48E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.75E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.75E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.2 ENANTIO for 263 parameters @@ -5636,12 +5636,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.006 +[31] 0.006 0.005 0.007 [03] Reversals @@ -5686,147 +5686,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5910,10 +5910,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.57E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.92E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.92E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -5951,15 +5951,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.002 0.003 0.004 [03] Reversals @@ -6004,147 +6004,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6228,10 +6228,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.54E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.86E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.86E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.5E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6272,12 +6272,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -6322,147 +6322,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.008 +[31] 0.009 0.013 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6546,10 +6546,10 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.27E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.27E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.8E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -6587,15 +6587,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -6640,147 +6640,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.013 0.009 +[31] 0.010 0.014 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -6798,34 +6798,34 @@ ___________ Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 5E-06 0E+00 5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-07 0E+00 6E-07 1.0 Ul_13 = 0.0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-07 0E+00 3E-07 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 3E-07 0E+00 3E-07 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 2E-06 0E+00 2E-06 1.0 Ul_13 = 0.0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-06 0E+00 8E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 8E-06 0E+00 8E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 1E-05 0E+00 1E-05 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_13 = 0.0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 6E-06 0E+00 6E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -2E-07 0E+00 -2E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -9E-06 0E+00 -9E-06 1.0 Ul_13 = 0.0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 -5E-06 0E+00 -5E-06 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -1E-05 0E+00 -1E-05 1.0 Ul_13 = 0.0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.00 Ul_12 = 0.0 -[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.00 Ul_23 = 0.0 -[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.00 Ul_13 = 0.0 +[79] 1 1 0 0 0 -2E-06 0E+00 -2E-06 1.0 Ul_12 = 0.0 +[79] 1 1 0 0 0 9E-07 0E+00 9E-07 1.0 Ul_23 = 0.0 +[79] 1 1 0 0 0 -3E-07 0E+00 -3E-07 1.0 Ul_13 = 0.0 ___________ (1) NO ___________ @@ -6987,8 +6987,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3.35E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.2 E+00 -0.4 ENANTIO [14] S/ESD 168 168 -0.010 0.0E+00 0.53 E-02 -2.0 C 19 U[11] [14] S/ESD 170 170 0.013 0.0E+00 0.45 E-02 2.9 C 19 U[33] @@ -7034,12 +7034,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.010 0.013 0.016 +[31] 0.010 0.013 0.017 [03] Reversals @@ -7084,147 +7084,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.008 0.007 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.008 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.012 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7308,8 +7308,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -7347,15 +7347,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.004 0.006 [03] Reversals @@ -7400,147 +7400,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7624,8 +7624,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4.40E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 4E+02 rel. error: 4E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -7663,15 +7663,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -7716,147 +7716,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -7940,8 +7940,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.3E+01 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -7979,15 +7979,15 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -8032,147 +8032,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -8256,8 +8256,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.33E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3.33E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -8298,12 +8298,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8348,147 +8348,147 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.008 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.007 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.012 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -8506,14 +8506,14 @@ ___________ Atom C(7), basis: C(7),C(9) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 -7E-04 0E+00 -7E-04 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -1E-03 0E+00 -1E-03 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 -4E-03 0E+00 -4E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 Atom C(9), basis: C(9),C(11) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.00 Uc1[1,3]-Uc2[1,3]=0 -[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.00 Uc1[2,3]-Uc2[2,3]=0 -[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.00 Uc1[3,3]-Uc2[3,3]=0 +[79] 1 1 0 0 0 4E-03 0E+00 4E-03 0.0 Uc1[1,3]-Uc2[1,3]=0 +[79] 1 1 0 0 0 -7E-05 0E+00 -7E-05 0.0 Uc1[2,3]-Uc2[2,3]=0 +[79] 1 1 0 0 0 5E-03 0E+00 5E-03 0.0 Uc1[3,3]-Uc2[3,3]=0 ___________ (1) NO ___________ @@ -8690,8 +8690,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.85E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.85E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.0 ENANTIO [14] S/ESD 213 213 0.021 0.0E+00 0.64 E-03 32.9 C 24 U[11] [14] S/ESD 232 232 -0.022 0.0E+00 0.65 E-03 -34.8 C 26 U[22] @@ -8735,12 +8735,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.00 0.01 -[31] 0.012 0.016 0.015 +[31] 0.012 0.016 0.015 [03] Reversals @@ -8785,147 +8785,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.019 0.018 +[31] 0.019 0.020 0.018 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.03 -[31] 0.064 0.062 0.058 +[31] 0.064 0.062 0.059 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.025 0.026 0.033 +[31] 0.026 0.026 0.034 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.031 0.028 0.022 +[31] 0.032 0.029 0.023 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.031 0.024 +[31] 0.026 0.032 0.024 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.037 0.039 0.034 +[31] 0.038 0.040 0.035 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.037 0.037 +[31] 0.038 0.038 0.038 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.027 0.028 +[31] 0.028 0.028 0.029 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.01 -[31] 0.044 0.039 0.041 +[31] 0.044 0.040 0.041 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.031 0.026 +[31] 0.027 0.031 0.026 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.039 0.039 0.039 +[31] 0.039 0.039 0.040 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.031 0.034 0.031 +[31] 0.032 0.034 0.032 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.038 0.040 0.035 +[31] 0.038 0.040 0.036 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.041 0.044 0.040 +[31] 0.042 0.044 0.041 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.030 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.040 +[31] 0.039 0.043 0.041 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.039 +[31] 0.039 0.043 0.039 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.048 0.044 +[31] 0.043 0.049 0.044 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.02 0.02 -[31] 0.052 0.055 0.048 +[31] 0.052 0.056 0.049 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.050 0.055 0.047 +[31] 0.051 0.056 0.048 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.052 0.051 0.056 +[31] 0.053 0.051 0.057 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.042 0.044 0.045 +[31] 0.043 0.045 0.045 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.02 0.01 0.02 -[31] 0.049 0.071 0.044 +[31] 0.049 0.071 0.044 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.043 0.052 0.039 +[31] 0.044 0.052 0.040 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.044 0.048 0.047 +[31] 0.044 0.049 0.048 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.047 0.063 0.050 +[31] 0.047 0.063 0.051 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.060 0.043 +[31] 0.050 0.060 0.043 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.02 0.02 0.02 -[31] 0.057 0.056 0.048 +[31] 0.058 0.057 0.048 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.049 0.059 0.046 +[31] 0.050 0.059 0.046 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -9009,8 +9009,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9051,12 +9051,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.006 [03] Reversals @@ -9101,147 +9101,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.012 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9325,8 +9325,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.80E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.80E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 0.6E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -9364,15 +9364,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.003 0.003 [03] Reversals @@ -9417,147 +9417,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9641,8 +9641,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.82E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.82E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 -0.0 -0.2E+02 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -9680,15 +9680,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.002 0.003 [03] Reversals @@ -9733,147 +9733,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -9957,8 +9957,8 @@ LS-scale= 0.440 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.81E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.81E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -9996,15 +9996,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -10049,147 +10049,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.007 +[31] 0.010 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.008 0.010 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -10208,28 +10208,28 @@ CONT C(26) TO C(27) TO C(28) Atom C(24), basis: C(24),C(25),C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -2E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -4E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -4E-06 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -4E-05 1.0 U13_local - == 0 Atom C(25), basis: C(25),C(26),C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -8E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -3E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 8E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -3E-06 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 -2E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 7E-05 1.0 U13_local - == 0 Atom C(26), basis: C(26),C(27),C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.00 U11_local - == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.00 U22_local - == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.00 U33_local - == 0 -[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.00 U12_local - == 0 -[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.00 U23_local - == 0 -[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.00 U13_local - == 0 +[79] 1 1 0 0 0 3E-02 3E-02 4E-05 1.0 U11_local - == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-06 1.0 U22_local - == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -3E-05 1.0 U33_local - == 0 +[79] 1 1 0 0 0 1E-03 1E-03 -1E-05 1.0 U12_local - == 0 +[79] 1 1 0 0 0 8E-04 8E-04 3E-05 1.0 U23_local - == 0 +[79] 1 1 0 0 0 -1E-02 -1E-02 -3E-05 1.0 U13_local - == 0 ___________ (1) NO ___________ @@ -10397,10 +10397,10 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.98E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.69E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 3.69E-12 +[80a] Block No 1. Double precision relative error: 4E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 2E+04 rel. error: 4E-12 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 9 9 -0.012 0.0E+00 0.49 E-02 -2.5 CL 1 U[23] @@ -10442,12 +10442,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.011 0.012 0.018 +[31] 0.011 0.012 0.018 [03] Reversals @@ -10492,147 +10492,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.024 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.045 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -10716,10 +10716,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 -0.4E+00 0.3 E+00 0.1 ENANTIO for 263 parameters @@ -10760,12 +10760,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -10810,147 +10810,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.017 0.017 0.016 +[31] 0.018 0.017 0.017 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.009 +[31] 0.007 0.007 0.009 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.006 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.006 +[31] 0.007 0.009 0.007 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.011 0.009 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.007 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.011 0.011 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.010 +[31] 0.011 0.011 0.010 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.011 0.010 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.011 0.012 0.011 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.012 +[31] 0.012 0.014 0.013 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.014 +[31] 0.013 0.016 0.014 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.013 +[31] 0.014 0.015 0.013 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.014 +[31] 0.013 0.013 0.015 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.012 +[31] 0.013 0.020 0.012 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.014 0.011 +[31] 0.012 0.014 0.011 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.013 +[31] 0.012 0.013 0.013 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.017 0.013 +[31] 0.013 0.018 0.013 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.012 +[31] 0.014 0.016 0.012 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.016 0.012 +[31] 0.015 0.016 0.013 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.017 0.013 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11034,10 +11034,10 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.20E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.20E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.1E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -11078,12 +11078,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.004 +[31] 0.004 0.003 0.004 [03] Reversals @@ -11128,147 +11128,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.013 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.007 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.007 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.007 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.009 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.011 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.016 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.013 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.012 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -11352,10 +11352,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.44E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.68E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 2.68E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 0.0 0.9E+01 0.6 E+00 0.0 ENANTIO [14] S/ESD 11 11 -0.012 -0.9E+01 0.41 E-02 -2.8 CL 1 U[12] @@ -11397,12 +11397,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -[31] 0.004 0.006 0.002 +[31] 0.005 0.006 0.003 [03] Reversals @@ -11447,147 +11447,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.031 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.012 0.012 0.016 +[31] 0.013 0.013 0.017 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.015 0.014 0.011 +[31] 0.015 0.014 0.011 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.013 0.016 0.012 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.018 0.019 0.017 +[31] 0.019 0.020 0.017 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.018 +[31] 0.020 0.020 0.018 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.014 +[31] 0.014 0.014 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.020 0.020 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.015 0.012 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.020 +[31] 0.020 0.020 0.020 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.015 +[31] 0.016 0.017 0.015 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.021 0.021 0.019 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.021 0.020 +[31] 0.021 0.021 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.019 +[31] 0.019 0.020 0.019 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.019 0.022 0.020 +[31] 0.020 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.021 0.025 0.023 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.028 0.026 +[31] 0.024 0.029 0.026 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.026 0.023 +[31] 0.026 0.027 0.024 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.025 0.026 +[31] 0.025 0.025 0.026 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.023 +[31] 0.023 0.022 0.023 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.023 0.036 0.022 +[31] 0.024 0.037 0.022 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -[31] 0.022 0.026 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.023 0.024 +[31] 0.023 0.024 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.023 0.032 0.024 +[31] 0.024 0.032 0.024 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.026 0.029 0.021 +[31] 0.026 0.030 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.029 0.023 +[31] 0.028 0.029 0.024 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -11671,10 +11671,10 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.74E-03 +[80a] Block No 1. Single precision relative error: 2E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 3.25E-12 -[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3.25E-12 +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 1E+01 cond. number: 1E+04 rel. error: 3E-12 [13] LARGE 2 2 -0.0 -0.4E+01 0.7 E+00 -0.0 ENANTIO for 263 parameters @@ -11712,15 +11712,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.006 0.004 [03] Reversals @@ -11765,147 +11765,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.010 0.011 0.010 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.035 0.033 0.032 +[31] 0.035 0.034 0.033 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.014 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.012 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.017 0.013 +[31] 0.014 0.017 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.021 0.018 +[31] 0.020 0.021 0.019 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.021 0.020 +[31] 0.022 0.021 0.020 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.016 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.021 +[31] 0.023 0.022 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.015 0.017 0.014 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.022 +[31] 0.022 0.022 0.022 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.017 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.021 0.022 0.020 +[31] 0.022 0.023 0.020 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.022 0.022 +[31] 0.022 0.022 0.022 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.016 0.016 +[31] 0.016 0.016 0.016 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.021 0.021 +[31] 0.021 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.024 0.022 +[31] 0.022 0.024 0.022 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.023 0.026 0.024 +[31] 0.023 0.027 0.025 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.030 0.027 +[31] 0.026 0.031 0.028 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.028 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.027 0.027 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.023 0.025 +[31] 0.024 0.024 0.025 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.03 0.01 0.01 0.00 0.01 -[31] 0.026 0.039 0.024 +[31] 0.026 0.040 0.024 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.028 0.022 +[31] 0.024 0.029 0.022 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.026 +[31] 0.025 0.025 0.026 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.025 0.034 0.026 +[31] 0.025 0.035 0.027 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.031 0.023 +[31] 0.028 0.032 0.024 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.031 0.026 +[31] 0.030 0.032 0.026 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.028 0.033 0.026 +[31] 0.028 0.033 0.026 [84] Mean C-C su = 0.02 #CYCLENDS #SET MONITOR ON @@ -11929,14 +11929,14 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 7E-02 0E+00 7E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.00 L_11-=0 -[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.50 L_22-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.50 L_12=0 +[79] 1 1 0 0 0 8E-02 0E+00 8E-02 1.0 L_11-=0 +[79] 1 1 0 0 0 9E-02 0E+00 9E-02 0.5 L_22-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 0.5 L_12=0 ___________ (1) NO ___________ @@ -12110,8 +12110,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.13E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.13E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.4 E+01 -0.0 ENANTIO [14] S/ESD 6 6 -0.014 0.0E+00 0.22 E-02 -6.4 CL 1 U[11] [14] S/ESD 9 9 -0.026 0.0E+00 0.13 E-02 -19.7 CL 1 U[23] @@ -12160,12 +12160,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.04 0.06 0.02 0.04 0.01 -[31] 0.013 0.018 0.021 +[31] 0.014 0.018 0.022 [03] Reversals @@ -12210,147 +12210,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.063 0.058 +[31] 0.062 0.064 0.059 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.12 0.12 0.10 0.09 0.09 0.10 -[31] 0.207 0.201 0.190 +[31] 0.207 0.202 0.190 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.03 0.04 -0.06 -0.02 0.04 0.00 [37] 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.085 0.109 +[31] 0.084 0.085 0.110 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.08 0.06 0.04 0.04 0.05 0.06 -[31] 0.103 0.093 0.073 +[31] 0.104 0.093 0.074 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.05 0.03 0.03 0.03 0.04 -[31] 0.084 0.102 0.079 +[31] 0.084 0.102 0.079 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.122 0.128 0.113 +[31] 0.122 0.129 0.113 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.05 0.05 0.04 0.04 0.04 -[31] 0.124 0.123 0.122 +[31] 0.125 0.123 0.123 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -[31] 0.092 0.090 0.093 +[31] 0.092 0.090 0.094 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.07 0.05 0.06 0.04 0.05 0.05 -[31] 0.142 0.129 0.134 +[31] 0.143 0.129 0.134 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.04 0.04 0.04 0.04 0.03 0.04 -[31] 0.087 0.102 0.084 +[31] 0.087 0.102 0.085 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.04 0.05 0.04 -[31] 0.127 0.128 0.129 +[31] 0.127 0.128 0.130 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.05 0.05 0.04 0.03 0.04 -[31] 0.102 0.110 0.102 +[31] 0.103 0.111 0.102 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.00 0.05 0.06 0.05 0.04 0.04 0.05 -[31] 0.123 0.130 0.115 +[31] 0.123 0.131 0.115 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.135 0.144 0.132 +[31] 0.136 0.144 0.132 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.01 0.00 0.05 0.04 0.05 0.04 0.04 0.04 -[31] 0.096 0.095 0.096 +[31] 0.096 0.096 0.096 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.06 0.05 0.05 0.05 -[31] 0.127 0.140 0.131 +[31] 0.127 0.140 0.132 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.06 0.06 0.05 0.04 0.05 -[31] 0.127 0.140 0.127 +[31] 0.128 0.140 0.127 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.07 0.06 0.05 0.06 -[31] 0.138 0.158 0.143 +[31] 0.139 0.158 0.143 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.09 0.09 0.07 0.07 0.06 0.07 -[31] 0.170 0.181 0.158 +[31] 0.171 0.181 0.158 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.07 -[31] 0.164 0.181 0.154 +[31] 0.164 0.181 0.155 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.09 0.10 0.07 0.07 0.07 -[31] 0.171 0.166 0.184 +[31] 0.172 0.166 0.184 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.07 0.07 0.06 0.05 0.05 -[31] 0.138 0.145 0.146 +[31] 0.138 0.145 0.147 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.01 0.02 0.01 0.08 0.17 0.06 0.08 0.05 0.09 -[31] 0.159 0.232 0.144 +[31] 0.160 0.232 0.145 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.10 0.06 0.06 0.05 0.06 -[31] 0.141 0.169 0.129 +[31] 0.142 0.170 0.130 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.01 0.01 0.06 0.08 0.08 0.07 0.06 0.06 -[31] 0.144 0.159 0.155 +[31] 0.144 0.159 0.156 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.07 0.11 0.09 0.09 0.06 0.08 -[31] 0.153 0.206 0.165 +[31] 0.154 0.207 0.165 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.11 0.06 0.07 0.05 0.08 -[31] 0.161 0.196 0.140 +[31] 0.162 0.196 0.140 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.10 0.09 0.07 0.07 0.07 0.08 -[31] 0.187 0.183 0.156 +[31] 0.188 0.184 0.157 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.01 0.02 0.01 0.08 0.10 0.07 0.07 0.06 0.08 -[31] 0.161 0.191 0.150 +[31] 0.162 0.192 0.151 [84] Mean C-C su = 0.15 #CYCLENDS #SFLS @@ -12434,8 +12434,8 @@ LS-scale= 0.447 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -12476,12 +12476,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.010 0.007 0.006 [03] Reversals @@ -12526,147 +12526,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.013 0.013 0.013 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.014 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12750,8 +12750,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 0.3E+00 0.2 E+00 0.1 ENANTIO for 263 parameters @@ -12792,12 +12792,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -12842,147 +12842,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13066,8 +13066,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.40E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.40E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.8E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -13105,15 +13105,15 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.003 +[31] 0.003 0.002 0.004 [03] Reversals @@ -13158,147 +13158,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -13382,8 +13382,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.39E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2.39E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -13424,12 +13424,12 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.004 +[31] 0.003 0.001 0.004 [03] Reversals @@ -13474,147 +13474,147 @@ All cycle Min function 0.0 0.37E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.012 +[31] 0.014 0.013 0.012 [37] CL 3. 1.00 0.00 0.93 0.50 0.17 0.13 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] CL 4. 1.00 0.00 0.89 0.26 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.007 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.006 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.009 0.010 0.010 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.011 +[31] 0.011 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.010 +[31] 0.011 0.013 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -13638,20 +13638,20 @@ Finally dL/dU_ij = Q^t R dU/DU_ij R^t Q Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 -5E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 8E-02 8E-02 5E-05 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 -5E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 8E-02 8E-02 4E-07 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.00 L(1,1)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 -2E-05 1.00 L(2,2)-=0 -[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.00 L(3,3)-=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(2,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,3)=0 -[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.00 L(1,2)=0 +[79] 1 1 0 0 0 1E-01 1E-01 -1E-05 1.0 L(1,1)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 -2E-05 1.0 L(2,2)-=0 +[79] 1 1 0 0 0 1E-01 1E-01 4E-05 1.0 L(3,3)-=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(2,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,3)=0 +[79] 1 1 0 0 0 0E+00 0E+00 0E+00 1.0 L(1,2)=0 ___________ (1) NO ___________ @@ -13809,8 +13809,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.06E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.06E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.014 0.0E+00 0.84 E-02 1.7 CL 1 U[11] [14] S/ESD 7 7 0.019 0.0E+00 0.69 E-02 2.8 CL 1 U[22] @@ -13856,12 +13856,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.007 0.007 +[31] 0.006 0.008 0.008 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.013 0.017 0.019 +[31] 0.014 0.017 0.020 [03] Reversals @@ -13906,147 +13906,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.015 0.014 +[31] 0.015 0.015 0.014 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.048 0.045 +[31] 0.050 0.048 0.046 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.01 -[31] 0.020 0.020 0.026 +[31] 0.020 0.020 0.026 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.022 0.017 +[31] 0.025 0.022 0.018 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.020 0.024 0.018 +[31] 0.020 0.025 0.019 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.030 0.027 +[31] 0.029 0.031 0.027 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.029 0.029 +[31] 0.030 0.029 0.029 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.021 0.022 +[31] 0.022 0.022 0.022 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.034 0.030 0.032 +[31] 0.034 0.031 0.032 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 -[31] 0.020 0.024 0.020 +[31] 0.021 0.025 0.020 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.030 0.031 +[31] 0.030 0.031 0.031 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.026 0.024 +[31] 0.025 0.026 0.025 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.027 +[31] 0.030 0.031 0.028 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.032 0.034 0.031 +[31] 0.033 0.035 0.032 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.023 0.022 0.023 +[31] 0.023 0.023 0.023 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.031 +[31] 0.030 0.034 0.032 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.030 0.033 0.030 +[31] 0.031 0.034 0.030 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.037 0.034 +[31] 0.033 0.038 0.034 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.043 0.037 +[31] 0.041 0.043 0.038 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.043 0.037 +[31] 0.039 0.043 0.037 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 0.01 -[31] 0.041 0.039 0.044 +[31] 0.041 0.040 0.044 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.034 0.035 +[31] 0.033 0.035 0.035 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.02 0.01 0.02 -[31] 0.038 0.055 0.034 +[31] 0.038 0.056 0.035 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.033 0.040 0.031 +[31] 0.034 0.041 0.031 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.034 0.038 0.037 +[31] 0.035 0.038 0.037 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.02 0.01 0.02 -[31] 0.036 0.049 0.039 +[31] 0.037 0.050 0.040 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.038 0.047 0.033 +[31] 0.039 0.047 0.034 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.045 0.044 0.037 +[31] 0.045 0.044 0.038 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.02 -[31] 0.038 0.046 0.036 +[31] 0.039 0.046 0.036 [84] Mean C-C su = 0.03 #CYCLENDS #SFLS @@ -14130,8 +14130,8 @@ LS-scale= 0.444 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.1E+01 0.2 E+00 0.6 ENANTIO for 263 parameters @@ -14172,12 +14172,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.010 0.006 [03] Reversals @@ -14222,147 +14222,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14446,8 +14446,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.80E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.1E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -14485,15 +14485,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [03] Reversals @@ -14538,147 +14538,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -14762,8 +14762,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.73E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.73E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.7E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -14801,15 +14801,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -14854,147 +14854,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.013 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -15078,8 +15078,8 @@ LS-scale= 0.441 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.72E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.72E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -15120,12 +15120,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -15170,147 +15170,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.10 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.012 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -15328,10 +15328,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 -1E-04 1.0 U_geom = _geom Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 9E-02 9E-02 1E-04 0.99 U_geom = _geom +[79] 1 1 0 0 0 9E-02 9E-02 1E-04 1.0 U_geom = _geom ___________ (1) NO ___________ @@ -15489,8 +15489,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.07E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5.07E-04 +[80a] Block No 1. Single precision relative error: 5E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 4E+03 rel. error: 5E-04 S/ESD 1 1 0.012 0.0E+00 0.691E-02 1.73 SCALE [13] LARGE 2 2 -0.1 0.0E+00 0.1 E+01 -0.1 ENANTIO [14] S/ESD 6 6 0.024 0.0E+00 0.95 E-02 2.5 CL 1 U[11] @@ -15538,12 +15538,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.006 0.007 0.007 +[31] 0.006 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.04 0.01 0.01 0.01 -[31] 0.014 0.018 0.018 +[31] 0.014 0.019 0.018 [03] Reversals @@ -15588,147 +15588,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.018 0.016 +[31] 0.018 0.018 0.017 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.03 0.03 0.03 0.02 0.02 0.02 -[31] 0.059 0.058 0.054 +[31] 0.060 0.058 0.055 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 -0.04 0.00 0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.024 0.024 0.031 +[31] 0.024 0.025 0.032 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.026 0.021 +[31] 0.030 0.027 0.021 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.024 0.029 0.022 +[31] 0.024 0.029 0.023 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.032 +[31] 0.035 0.037 0.033 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.035 0.035 +[31] 0.036 0.035 0.035 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.026 0.027 +[31] 0.026 0.026 0.027 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.041 0.037 0.038 +[31] 0.041 0.037 0.039 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.025 0.029 0.024 +[31] 0.025 0.029 0.024 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.036 0.037 +[31] 0.037 0.037 0.037 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.029 0.031 0.029 +[31] 0.029 0.032 0.029 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.035 0.037 0.033 +[31] 0.035 0.037 0.033 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.039 0.041 0.038 +[31] 0.039 0.041 0.038 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.027 0.027 +[31] 0.028 0.028 0.028 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.037 +[31] 0.036 0.040 0.038 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.036 0.040 0.036 +[31] 0.037 0.040 0.036 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.045 0.041 +[31] 0.040 0.046 0.041 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.049 0.052 0.045 +[31] 0.049 0.052 0.045 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.02 -[31] 0.047 0.052 0.044 +[31] 0.047 0.052 0.044 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.02 -[31] 0.049 0.047 0.053 +[31] 0.049 0.048 0.053 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.01 0.01 0.01 -[31] 0.039 0.041 0.042 +[31] 0.040 0.042 0.042 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.04 0.01 0.02 0.01 0.02 -[31] 0.045 0.066 0.041 +[31] 0.046 0.067 0.042 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.01 -[31] 0.040 0.048 0.037 +[31] 0.041 0.049 0.037 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.01 0.01 -[31] 0.041 0.045 0.044 +[31] 0.042 0.046 0.045 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.044 0.059 0.047 +[31] 0.044 0.059 0.048 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.02 0.01 0.02 -[31] 0.046 0.056 0.040 +[31] 0.046 0.056 0.040 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.03 0.02 0.02 0.02 0.02 0.02 -[31] 0.054 0.052 0.045 +[31] 0.054 0.053 0.045 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.02 0.01 0.02 -[31] 0.046 0.055 0.043 +[31] 0.046 0.055 0.043 [84] Mean C-C su = 0.04 #CYCLENDS #SFLS @@ -15812,8 +15812,8 @@ LS-scale= 0.448 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.77E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.77E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.1 -0.7E+00 0.2 E+00 0.3 ENANTIO for 263 parameters @@ -15854,12 +15854,12 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.005 +[31] 0.007 0.008 0.005 [03] Reversals @@ -15904,147 +15904,147 @@ All cycle Min function 0.0 0.35E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16128,8 +16128,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.3E+00 0.2 E+00 -0.1 ENANTIO for 263 parameters @@ -16167,15 +16167,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.004 +[31] 0.003 0.003 0.004 [03] Reversals @@ -16220,147 +16220,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.010 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16444,8 +16444,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 0.0 -0.3E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16483,15 +16483,15 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16536,147 +16536,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.009 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.011 0.012 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -16760,8 +16760,8 @@ LS-scale= 0.442 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.71E-04 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 3.71E-04 +[80a] Block No 1. Single precision relative error: 4E-04 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 3E+03 rel. error: 4E-04 [13] LARGE 2 2 -0.0 -0.7E-01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -16802,12 +16802,12 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [03] Reversals @@ -16852,147 +16852,147 @@ All cycle Min function 0.0 0.34E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.11 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.20 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.61 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.012 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.013 0.010 +[31] 0.010 0.013 0.010 [37] C 27. 1.00 0.00 0.66 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.011 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.009 +[31] 0.011 0.012 0.010 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -17010,10 +17010,10 @@ ___________ Atom CL(1) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 -1E-04 1.0 U_eq = _eq Atom CL(3) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 1E-01 1E-01 1E-04 0.99 U_eq = _eq +[79] 1 1 0 0 0 1E-01 1E-01 1E-04 1.0 U_eq = _eq ___________ (1) NO ___________ @@ -17218,8 +17218,8 @@ LS-scale= 0.436 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.1 0.0E+00 0.6 E+00 -0.1 ENANTIO [14] S/ESD 170 170 0.013 0.0E+00 0.12 E-01 1.0 C 19 U[33] @@ -17261,12 +17261,12 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.005 0.006 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -[31] 0.009 0.012 0.017 +[31] 0.010 0.013 0.017 [03] Reversals @@ -17311,147 +17311,147 @@ All cycle Min function 0.0 0.32E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.033 0.032 0.030 +[31] 0.033 0.032 0.030 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.013 0.013 0.017 +[31] 0.013 0.014 0.018 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -[31] 0.016 0.015 0.011 +[31] 0.017 0.015 0.012 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.012 +[31] 0.013 0.016 0.013 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.019 0.019 +[31] 0.020 0.020 0.020 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.014 0.015 +[31] 0.015 0.015 0.015 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.022 0.020 0.021 +[31] 0.023 0.021 0.021 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.016 0.013 +[31] 0.014 0.016 0.013 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.020 0.020 +[31] 0.020 0.021 0.021 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.017 0.016 +[31] 0.016 0.018 0.016 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.019 0.020 0.018 +[31] 0.020 0.021 0.018 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.021 0.023 0.021 +[31] 0.022 0.023 0.021 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.015 0.015 +[31] 0.015 0.015 0.015 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -[31] 0.020 0.022 0.021 +[31] 0.020 0.022 0.021 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.020 0.022 0.020 +[31] 0.021 0.022 0.020 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -[31] 0.022 0.025 0.022 +[31] 0.022 0.025 0.023 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.028 0.025 +[31] 0.027 0.029 0.025 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.026 0.029 0.024 +[31] 0.026 0.029 0.025 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -[31] 0.027 0.026 0.029 +[31] 0.028 0.026 0.029 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -[31] 0.022 0.023 0.023 +[31] 0.022 0.023 0.024 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.01 0.00 0.01 -[31] 0.025 0.037 0.023 +[31] 0.025 0.037 0.023 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.027 0.020 +[31] 0.023 0.027 0.021 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.025 0.024 +[31] 0.023 0.025 0.025 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.032 0.026 +[31] 0.025 0.033 0.026 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.031 0.022 +[31] 0.026 0.031 0.022 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.025 +[31] 0.030 0.029 0.025 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.030 0.024 +[31] 0.026 0.031 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SFLS @@ -17535,8 +17535,8 @@ LS-scale= 0.439 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.2E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -17574,15 +17574,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.005 0.004 0.005 [03] Reversals @@ -17627,147 +17627,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.29 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.005 0.005 0.007 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.009 +[31] 0.009 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.010 +[31] 0.010 0.012 0.011 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.011 0.010 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.015 0.009 +[31] 0.010 0.015 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.010 0.008 +[31] 0.009 0.010 0.008 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.010 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.012 0.009 +[31] 0.009 0.013 0.010 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.012 0.008 +[31] 0.010 0.012 0.009 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.009 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.011 0.009 +[31] 0.010 0.012 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -17851,8 +17851,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.4E+00 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -17893,12 +17893,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.002 0.002 0.004 [03] Reversals @@ -17943,147 +17943,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.008 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18167,8 +18167,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18206,15 +18206,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [03] Reversals @@ -18259,147 +18259,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.009 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18483,8 +18483,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -18525,12 +18525,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.001 0.003 [03] Reversals @@ -18575,147 +18575,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -18799,8 +18799,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -18838,15 +18838,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -18891,147 +18891,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19115,8 +19115,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.1E+01 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19157,12 +19157,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.002 0.002 0.003 [03] Reversals @@ -19207,147 +19207,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.009 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19431,8 +19431,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.1E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -19470,15 +19470,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19523,147 +19523,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.007 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -19747,8 +19747,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.44E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.44E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 0.0 -0.6E+00 0.2 E+00 0.0 ENANTIO for 263 parameters @@ -19789,12 +19789,12 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -19839,147 +19839,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.011 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.008 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] O 8. 1.00 0.00 0.56 0.95 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.005 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.29 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.007 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.008 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.011 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20063,8 +20063,8 @@ LS-scale= 0.438 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.45E-05 -[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2.45E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 1E+01 cond. number: 2E+02 rel. error: 2E-05 [13] LARGE 2 2 -0.0 -0.2E+01 0.2 E+00 -0.0 ENANTIO for 263 parameters @@ -20102,15 +20102,15 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -20155,147 +20155,147 @@ All cycle Min function 0.0 0.31E+04 0.10E+16 [37] CL 1. 1.00 0.00 0.72 0.30 0.17 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 2. 1.00 0.00 0.82 0.40 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] CL 3. 1.00 0.00 0.92 0.50 0.17 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.006 +[31] 0.005 0.005 0.006 [37] CL 4. 1.00 0.00 0.89 0.27 0.00 0.19 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.004 [37] O 5. 1.00 0.00 0.46 0.78 0.24 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 6. 1.00 0.00 0.42 0.76 0.35 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 0.00 0.43 0.92 0.41 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 0.00 0.56 0.96 0.42 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 9. 1.00 0.00 0.37 0.90 0.52 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] O 10. 1.00 0.00 0.43 0.79 0.59 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.006 0.004 +[31] 0.005 0.006 0.005 [37] C 11. 1.00 0.00 0.24 0.84 0.50 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 12. 1.00 0.00 0.24 0.69 0.45 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.007 0.006 [37] C 13. 1.00 0.00 0.29 0.70 0.34 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.008 0.007 [37] C 14. 1.00 0.00 0.29 0.53 0.28 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.008 [37] O 15. 1.00 0.00 0.33 0.41 0.36 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 16. 1.00 0.00 0.11 0.64 0.44 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.008 0.007 [37] C 17. 1.00 0.00 0.06 0.60 0.55 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.007 +[31] 0.008 0.009 0.008 [37] C 18. 1.00 0.00 0.11 0.50 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.010 0.009 [37] C 19. 1.00 0.00 0.06 0.47 0.72 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.010 +[31] 0.009 0.011 0.010 [37] C 20. 1.00 0.00 -0.04 0.54 0.75 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.009 +[31] 0.010 0.010 0.009 [37] C 21. 1.00 0.00 -0.09 0.65 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] C 22. 1.00 0.00 -0.04 0.68 0.58 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 23. 1.00 0.00 0.58 0.72 0.22 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.009 0.014 0.008 +[31] 0.009 0.014 0.009 [37] C 24. 1.00 0.00 0.60 0.72 0.10 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.007 +[31] 0.008 0.009 0.007 [37] C 25. 1.00 0.00 0.69 0.81 0.06 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.008 0.009 0.009 [37] C 26. 1.00 0.00 0.72 0.80 -0.04 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.011 0.009 +[31] 0.009 0.012 0.009 [37] C 27. 1.00 0.00 0.65 0.70 -0.10 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.010 0.011 0.008 [37] C 28. 1.00 0.00 0.57 0.60 -0.06 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.008 +[31] 0.010 0.011 0.009 [37] C 29. 1.00 0.00 0.54 0.61 0.04 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.011 0.008 +[31] 0.009 0.011 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SET MONITOR ON @@ -20318,52 +20318,52 @@ T tensor: Atom C(24) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 3E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -4E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -6E-03 -7E-03 1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 7E-03 7E-03 -4E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 3E-03 3E-03 2E-04 1.0 U13 - Utls13 == 0 Atom C(25) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 3E-02 5E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 -4E-06 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 6E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 9E-04 1E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 -5E-03 -4E-03 -3E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -1E-03 -1E-03 1E-06 1.0 U13 - Utls13 == 0 Atom C(26) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 4E-02 4E-02 3E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 -1E-04 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 2E-02 2E-02 5E-05 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 6E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -8E-03 -8E-03 -8E-05 1.0 U13 - Utls13 == 0 Atom C(27) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 7E-02 7E-02 7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 4E-03 4E-03 -1E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 1E-02 1E-02 2E-04 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 8E-05 1.0 U13 - Utls13 == 0 Atom C(28) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -1E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 -5E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -10E-05 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -3E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 6E-03 6E-03 3E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -9E-03 -9E-03 -1E-05 1.0 U13 - Utls13 == 0 Atom C(29) S(I) L TX TY TZ Value target Difference Leverage Description -[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.00 U11 - Utls11 == 0 -[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.00 U22 - Utls22 == 0 -[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.00 U33 - Utls33 == 0 -[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.00 U12 - Utls12 == 0 -[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.00 U23 - Utls23 == 0 -[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.00 U13 - Utls13 == 0 +[79] 1 1 0 0 0 5E-02 5E-02 7E-05 1.0 U11 - Utls11 == 0 +[79] 1 1 0 0 0 6E-02 6E-02 -7E-05 1.0 U22 - Utls22 == 0 +[79] 1 1 0 0 0 3E-02 3E-02 -2E-04 1.0 U33 - Utls33 == 0 +[79] 1 1 0 0 0 6E-04 5E-04 2E-04 1.0 U12 - Utls12 == 0 +[79] 1 1 0 0 0 9E-03 9E-03 -8E-05 1.0 U23 - Utls23 == 0 +[79] 1 1 0 0 0 -2E-02 -2E-02 -6E-05 1.0 U13 - Utls13 == 0 ___________ (1) NO ___________ diff --git a/test_suite/MIN64GHGUI.org/shapering.out b/test_suite/MIN64GHGUI.org/shapering.out index f0ac25f7b..46d87f4dc 100644 --- a/test_suite/MIN64GHGUI.org/shapering.out +++ b/test_suite/MIN64GHGUI.org/shapering.out @@ -222,8 +222,8 @@ LS-scale= 6.292 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.50E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.50E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 8E-05 S/ESD 1 1 0.066 0.0E+00 0.124E-01 5.32 SCALE [14] S/ESD 29 29 0.011 0.0E+00 0.78 E-02 1.4 C 13 Z @@ -265,12 +265,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.021 0.052 +[31] 0.038 0.022 0.052 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.076 0.043 0.102 +[31] 0.077 0.043 0.102 [03] Reversals @@ -315,62 +315,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.046 0.037 0.046 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.045 0.037 0.045 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.45 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.068 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 15. 0.42 1.00 -0.27 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.070 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0680 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -459,8 +459,8 @@ LS-scale= 6.358 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.08E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.08E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -501,15 +501,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.008 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.018 0.014 +[31] 0.019 0.019 0.015 [03] Reversals @@ -554,62 +554,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0548 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0016 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -698,8 +698,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.02E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.02E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -743,12 +743,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.004 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.008 +[31] 0.007 0.009 0.008 [03] Reversals @@ -793,62 +793,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -937,8 +937,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.00E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.00E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -995,15 +995,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.005 0.002 +[31] 0.003 0.005 0.002 [03] Reversals @@ -1048,62 +1048,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.071 0.057 0.070 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.070 +[31] 0.071 0.056 0.070 [37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1213,10 +1213,10 @@ LS-scale= 5.759 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-03 +[80a] Block No 1. Single precision relative error: 1E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 2.49E-12 -[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2.49E-12 +[80a] Block No 1. Double precision relative error: 2E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 2E-12 [13] LARGE 1 1 0.6 0.0E+00 0.1 E-01 32.5 SCALE [14] S/ESD 2 2 0.409 0.0E+00 0.60 E-01 6.7 C 1 OCC Composite @@ -1402,15 +1402,15 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [38] Mean 0.61 0.31 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.027 0.025 +[31] 0.032 0.028 0.026 [71] R.M.S. 0. 0.33 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.227 0.146 0.133 +[31] 0.227 0.147 0.134 [70] Maximum 0. 0.40 0.04 0.03 0.02 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.410 0.262 0.295 +[31] 0.410 0.262 0.295 [03] Reversals @@ -1455,62 +1455,62 @@ All cycle Min function 0.0 0.57E+06 0.10E+16 [37] C 1. 0.93 1.00 -0.13 -0.10 -0.29 0.10 [73] 0.40 -0.01 0.00 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 2. 0.93 1.00 -0.11 -0.20 -0.18 0.10 [73] 0.40 -0.00 0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.074 [37] C 3. 0.93 1.00 -0.19 -0.20 -0.10 0.10 [73] 0.40 -0.02 -0.02 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.075 +[31] 0.074 0.057 0.076 [37] C 4. 0.93 1.00 -0.26 -0.05 -0.17 0.10 [73] 0.40 -0.01 0.00 0.00 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.072 0.059 0.073 +[31] 0.072 0.059 0.074 [37] C 5. 0.93 1.00 -0.21 -0.01 -0.28 0.10 [73] 0.40 0.01 -0.01 0.01 0.04 [73] 0.06 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.074 0.059 0.072 [37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 [73] 0.22 0.03 0.00 -0.01 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.199 0.161 0.200 +[31] 0.199 0.162 0.200 [37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 [73] 0.22 0.01 0.01 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.196 0.160 0.191 +[31] 0.196 0.160 0.192 [37] C 13. 0.54 1.00 -0.18 -0.26 0.04 0.11 [73] 0.22 -0.00 0.02 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.202 0.162 0.196 +[31] 0.202 0.162 0.197 [37] C 14. 0.54 1.00 -0.34 0.00 -0.09 0.11 [73] 0.22 -0.02 -0.01 -0.03 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.204 0.159 0.203 +[31] 0.205 0.160 0.203 [37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 [73] 0.22 0.03 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.02 0.00 -[31] 0.201 0.158 0.199 +[31] 0.201 0.158 0.200 [37] C 100. 0.30 4.00 -0.15 -0.09 -0.18 0.05 -2.0452 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.30 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [37] C 200. 2.26 4.00 -0.15 -0.09 -0.19 0.06 -1.1286 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 -0.0147 [22] 0.23 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 -[31] 0.023 0.019 0.018 +[31] 0.023 0.020 0.018 [84] Mean C-C su = 0.10 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1599,8 +1599,8 @@ LS-scale= 6.368 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.69E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.69E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.155 -0.4E+00 0.46 E-01 -3.3 C 1 OCC Composite @@ -1783,15 +1783,15 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [38] Mean 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.020 0.019 +[31] 0.024 0.020 0.019 [71] R.M.S. 0. 0.14 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.083 0.080 0.113 +[31] 0.084 0.080 0.114 [70] Maximum 0. 0.15 0.03 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.180 0.151 0.261 +[31] 0.181 0.151 0.261 [03] Reversals @@ -1836,62 +1836,62 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 0.78 1.00 -0.13 -0.10 -0.31 0.07 [73] -0.15 0.00 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 2. 0.78 1.00 -0.11 -0.21 -0.19 0.07 [73] -0.15 -0.00 -0.01 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.032 0.042 +[31] 0.044 0.033 0.043 [37] C 3. 0.78 1.00 -0.17 -0.18 -0.09 0.07 [73] -0.15 0.01 0.01 0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 4. 0.78 1.00 -0.25 -0.05 -0.17 0.07 [73] -0.15 0.00 -0.00 -0.00 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.78 1.00 -0.22 0.00 -0.29 0.07 [73] -0.15 -0.01 0.00 -0.01 -0.03 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.034 0.041 +[31] 0.041 0.035 0.041 [37] C 11. 0.41 1.00 -0.07 -0.05 -0.44 0.10 [73] -0.13 0.00 0.00 0.02 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.070 0.056 0.069 [37] C 12. 0.41 1.00 0.00 -0.31 -0.14 0.10 [73] -0.13 0.00 -0.00 0.01 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.069 +[31] 0.071 0.058 0.070 [37] C 13. 0.41 1.00 -0.18 -0.25 0.04 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 14. 0.41 1.00 -0.33 0.00 -0.08 0.10 [73] -0.13 0.00 0.00 0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.073 0.057 0.071 [37] C 15. 0.41 1.00 -0.24 0.15 -0.36 0.10 [73] -0.13 -0.00 0.01 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 100. 1.08 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.77 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.23 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.91 4.00 -0.17 -0.10 -0.20 0.05 [22] 0.65 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 -0.0111 [22] 0.15 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -1980,8 +1980,8 @@ LS-scale= 6.366 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.97E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.97E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.226 0.1E+01 0.40 E-01 -5.5 C 1 OCC Composite @@ -2155,15 +2155,15 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [38] Mean 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.017 +[31] 0.021 0.018 0.017 [71] R.M.S. 0. 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.054 0.043 +[31] 0.072 0.054 0.044 [70] Maximum 0. 0.22 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.154 0.101 0.075 +[31] 0.155 0.102 0.075 [03] Reversals @@ -2208,62 +2208,62 @@ All cycle Min function 0.0 0.27E+06 0.10E+16 [37] C 1. 0.55 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.22 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 2. 0.55 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.22 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.033 +[31] 0.034 0.026 0.033 [37] C 3. 0.55 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.22 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.033 0.026 0.033 +[31] 0.033 0.026 0.033 [37] C 4. 0.55 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.22 0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 5. 0.55 1.00 -0.22 0.00 -0.29 0.06 [73] -0.22 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.026 0.032 +[31] 0.033 0.026 0.033 [37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.03 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 [73] -0.03 0.00 0.01 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.076 +[31] 0.078 0.063 0.077 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.081 0.064 0.080 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] -0.03 0.01 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.062 0.079 +[31] 0.080 0.063 0.079 [37] C 15. 0.38 1.00 -0.24 0.15 -0.36 0.09 [73] -0.03 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.079 +[31] 0.079 0.063 0.079 [37] C 100. 2.21 4.00 -0.17 -0.11 -0.20 0.03 [22] 1.13 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.20 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.15 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 -0.0097 [22] 0.13 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[31] 0.019 0.016 0.015 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2352,8 +2352,8 @@ LS-scale= 6.361 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.039 0.2E+00 0.35 E-01 -1.0 C 1 OCC Composite @@ -2415,15 +2415,15 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [38] Mean 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.001 +[31] 0.000 0.000 0.001 [71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.045 0.039 0.031 +[31] 0.046 0.039 0.032 [70] Maximum 0. 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.086 0.076 0.052 +[31] 0.086 0.076 0.053 [03] Reversals @@ -2468,62 +2468,62 @@ All cycle Min function 0.0 0.26E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.041 +[31] 0.043 0.034 0.042 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 4. 0.51 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.043 [37] C 5. 0.51 1.00 -0.21 0.00 -0.28 0.06 [73] -0.03 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.034 0.042 [37] C 11. 0.36 1.00 -0.08 -0.06 -0.45 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.36 1.00 0.01 -0.31 -0.14 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.36 1.00 -0.16 -0.25 0.05 0.09 [73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.062 0.077 [37] C 14. 0.36 1.00 -0.32 0.01 -0.07 0.09 [73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 15. 0.36 1.00 -0.25 0.14 -0.37 0.09 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.41 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.19 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.07 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 -0.0005 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2613,8 +2613,8 @@ LS-scale= 6.360 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.02E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.02E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2654,12 +2654,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.014 0.008 +[31] 0.012 0.014 0.009 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.031 0.019 +[31] 0.025 0.031 0.019 [03] Reversals @@ -2704,62 +2704,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.037 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.079 +[31] 0.081 0.065 0.080 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.079 0.064 0.078 [37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.081 0.064 0.079 +[31] 0.082 0.065 0.080 [37] C 14. 0.37 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.063 0.080 +[31] 0.081 0.064 0.080 [37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.080 0.064 0.080 +[31] 0.081 0.064 0.080 [37] C 100. 2.50 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.09 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0466 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -2848,8 +2848,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.93E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.93E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -2893,12 +2893,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.009 0.006 +[31] 0.007 0.009 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.026 0.015 +[31] 0.019 0.026 0.015 [03] Reversals @@ -2943,62 +2943,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.063 0.077 +[31] 0.079 0.063 0.078 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.076 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.079 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.079 0.062 0.078 [37] C 100. 2.51 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 -0.0110 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3087,8 +3087,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -3148,12 +3148,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.004 +[31] 0.009 0.013 0.005 [03] Reversals @@ -3198,62 +3198,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.063 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.076 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.077 +[31] 0.079 0.063 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.077 +[31] 0.078 0.062 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0077 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3342,8 +3342,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.07E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.07E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3387,12 +3387,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.010 0.004 +[31] 0.007 0.010 0.004 [03] Reversals @@ -3437,62 +3437,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 3. 0.49 1.00 -0.18 -0.18 -0.10 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.046 0.036 0.045 [37] C 4. 0.49 1.00 -0.24 -0.05 -0.16 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.45 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.062 0.076 +[31] 0.078 0.062 0.077 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.076 +[31] 0.079 0.062 0.077 [37] C 14. 0.38 1.00 -0.32 0.01 -0.07 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.078 [37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.077 +[31] 0.078 0.062 0.077 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0032 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -3948,8 +3948,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.29E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.29E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -3989,12 +3989,12 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.021 0.042 +[31] 0.032 0.022 0.043 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.056 0.038 0.082 +[31] 0.056 0.038 0.083 [03] Reversals @@ -4039,62 +4039,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 -0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 -0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.045 0.036 0.045 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[31] 0.045 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.066 +[31] 0.068 0.054 0.066 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.055 0.068 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.068 +[31] 0.069 0.054 0.068 [37] C 100. 2.62 4.00 -0.17 -0.11 -0.20 0.03 -0.0594 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.08 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4183,8 +4183,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.12E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.12E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4225,15 +4225,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.006 +[31] 0.009 0.007 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.013 +[31] 0.019 0.014 0.013 [03] Reversals @@ -4278,62 +4278,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 -0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.071 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.071 +[31] 0.072 0.057 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0517 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 -0.0002 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4422,8 +4422,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.06E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.06E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4464,15 +4464,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.007 [03] Reversals @@ -4517,62 +4517,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.44 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4661,8 +4661,8 @@ LS-scale= 6.356 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.04E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.04E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -4699,15 +4699,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -4752,62 +4752,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.044 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.10 -0.07 -0.45 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.057 0.070 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.057 0.069 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.057 0.070 +[31] 0.072 0.058 0.071 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.056 0.071 +[31] 0.072 0.056 0.071 [37] C 15. 0.42 1.00 -0.26 0.12 -0.37 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.056 0.070 +[31] 0.072 0.056 0.071 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 -0.0043 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -4917,8 +4917,8 @@ LS-scale= 6.870 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.30E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2.30E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 S/ESD 1 1 -0.514 0.0E+00 0.171E-01 -30.07 SCALE [14] S/ESD 2 2 0.100 0.0E+00 0.36 E-01 2.7 C 1 OCC Composite @@ -5096,12 +5096,12 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.062 0.071 0.073 +[31] 0.062 0.071 0.073 [70] Maximum 0. 0.10 0.02 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.121 0.149 0.130 +[31] 0.121 0.149 0.130 [03] Reversals @@ -5146,62 +5146,62 @@ All cycle Min function 0.0 0.48E+06 0.10E+16 [37] C 1. 0.63 1.00 -0.14 -0.10 -0.30 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.046 [37] C 2. 0.63 1.00 -0.11 -0.20 -0.19 0.07 [73] 0.10 -0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.038 0.047 +[31] 0.047 0.039 0.047 [37] C 3. 0.63 1.00 -0.18 -0.19 -0.10 0.07 [73] 0.10 0.00 0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.046 +[31] 0.048 0.038 0.046 [37] C 4. 0.63 1.00 -0.25 -0.05 -0.16 0.07 [73] 0.10 0.00 -0.00 0.00 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.046 +[31] 0.047 0.038 0.047 [37] C 5. 0.63 1.00 -0.22 -0.01 -0.28 0.07 [73] 0.10 -0.01 0.00 -0.01 0.02 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.038 0.048 +[31] 0.048 0.038 0.048 [37] C 11. 0.44 1.00 -0.11 -0.08 -0.46 0.09 [73] 0.06 -0.00 -0.01 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.070 0.088 +[31] 0.088 0.071 0.088 [37] C 12. 0.44 1.00 -0.02 -0.32 -0.16 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.088 0.070 0.086 +[31] 0.088 0.071 0.086 [37] C 13. 0.44 1.00 -0.19 -0.28 0.03 0.09 [73] 0.06 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.088 0.071 0.087 +[31] 0.088 0.071 0.087 [37] C 14. 0.44 1.00 -0.33 -0.01 -0.07 0.09 [73] 0.06 -0.00 -0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.070 0.089 +[31] 0.089 0.071 0.089 [37] C 15. 0.44 1.00 -0.28 0.12 -0.38 0.09 [73] 0.06 -0.00 0.00 -0.01 0.01 [73] 0.02 0.00 0.00 0.01 0.00 -[31] 0.089 0.071 0.087 +[31] 0.089 0.071 0.087 [37] C 100. 1.81 4.00 -0.18 -0.12 -0.21 0.02 -0.5012 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [37] C 200. 2.79 4.00 -0.18 -0.12 -0.21 0.03 -0.3480 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 [22] 0.13 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.009 +[31] 0.012 0.010 0.010 [84] Mean C-C su = 0.05 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5290,8 +5290,8 @@ LS-scale= 6.355 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.43E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.43E-04 +[80a] Block No 1. Single precision relative error: 1E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1E-04 [14] S/ESD 2 2 -0.112 -0.1E+01 0.34 E-01 -3.3 C 1 OCC Composite @@ -5446,12 +5446,12 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [89] -0.02 -0.01 -0.01 [71] R.M.S. 0. 0.08 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.027 0.039 +[31] 0.053 0.028 0.040 [70] Maximum 0. 0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.079 0.050 0.082 +[31] 0.079 0.051 0.083 [03] Reversals @@ -5496,62 +5496,62 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 0.52 1.00 -0.14 -0.10 -0.30 0.06 [73] -0.11 0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.52 1.00 -0.12 -0.20 -0.19 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 3. 0.52 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 4. 0.52 1.00 -0.25 -0.06 -0.17 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.042 0.034 0.042 [37] C 5. 0.52 1.00 -0.22 -0.01 -0.28 0.06 [73] -0.11 -0.00 -0.00 -0.00 -0.01 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.042 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.11 -0.08 -0.46 0.10 [73] -0.01 0.00 0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.065 +[31] 0.066 0.053 0.066 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.17 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.064 +[31] 0.065 0.052 0.064 [37] C 13. 0.42 1.00 -0.20 -0.28 0.02 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.053 0.065 +[31] 0.066 0.053 0.065 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.01 -0.00 -0.00 -0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.066 +[31] 0.067 0.053 0.066 [37] C 15. 0.42 1.00 -0.27 0.11 -0.38 0.10 [73] -0.01 0.00 -0.00 0.00 0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.065 +[31] 0.066 0.052 0.065 [37] C 100. 2.37 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.56 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.86 4.00 -0.17 -0.11 -0.20 0.05 [22] 0.06 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 0.0101 [22] 0.12 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5640,8 +5640,8 @@ LS-scale= 6.357 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.90E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 7.90E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 [14] S/ESD 2 2 -0.070 0.6E+00 0.37 E-01 -1.9 C 1 OCC Composite @@ -5719,15 +5719,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.021 +[31] 0.019 0.017 0.021 [70] Maximum 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.030 0.044 +[31] 0.033 0.030 0.045 [03] Reversals @@ -5772,62 +5772,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.45 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.45 1.00 -0.12 -0.20 -0.20 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.035 0.044 +[31] 0.046 0.035 0.045 [37] C 3. 0.45 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.07 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.035 0.045 [37] C 4. 0.45 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.07 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.044 +[31] 0.044 0.035 0.044 [37] C 5. 0.45 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.07 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.41 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.072 +[31] 0.073 0.059 0.072 [37] C 12. 0.41 1.00 -0.02 -0.33 -0.16 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.072 0.058 0.071 [37] C 13. 0.41 1.00 -0.20 -0.28 0.03 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.071 +[31] 0.072 0.059 0.072 [37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.057 0.072 +[31] 0.074 0.058 0.073 [37] C 15. 0.41 1.00 -0.27 0.12 -0.38 0.10 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.057 0.071 +[31] 0.073 0.058 0.072 [37] C 100. 2.73 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.35 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [37] C 200. 2.91 4.00 -0.17 -0.11 -0.20 0.04 [22] 0.04 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.012 0.010 0.010 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -5916,8 +5916,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.32E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.32E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -5958,15 +5958,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.010 +[31] 0.007 0.005 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.010 0.028 +[31] 0.019 0.010 0.028 [03] Reversals @@ -6011,62 +6011,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.073 +[31] 0.074 0.060 0.074 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.074 0.059 0.072 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.060 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.059 0.073 [37] C 100. 2.75 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0109 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6156,8 +6156,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.31E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.31E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6194,15 +6194,15 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.003 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.014 +[31] 0.007 0.004 0.014 [03] Reversals @@ -6247,62 +6247,62 @@ All cycle Min function 0.0 0.25E+06 0.10E+16 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.037 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.048 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.037 0.046 +[31] 0.047 0.037 0.047 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.073 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0039 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6391,8 +6391,8 @@ LS-scale= 6.359 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.30E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8.30E-05 +[80a] Block No 1. Single precision relative error: 8E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 7E+02 rel. error: 8E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -6429,15 +6429,15 @@ All cycle Rw 0.0 10. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.002 +[31] 0.002 0.001 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.008 +[31] 0.005 0.001 0.008 [03] Reversals @@ -6482,62 +6482,62 @@ All cycle Rw 0.0 10. 0.10E+03 [37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.047 0.037 0.045 [37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.046 +[31] 0.048 0.037 0.046 [37] C 3. 0.44 1.00 -0.18 -0.19 -0.11 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.046 +[31] 0.047 0.037 0.046 [37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.046 +[31] 0.046 0.037 0.046 [37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.038 0.045 +[31] 0.046 0.038 0.045 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.073 +[31] 0.074 0.059 0.073 [37] C 12. 0.42 1.00 -0.02 -0.33 -0.16 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.058 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.42 1.00 -0.20 -0.28 0.03 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.073 0.059 0.072 [37] C 14. 0.42 1.00 -0.34 -0.01 -0.09 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.075 0.058 0.073 [37] C 15. 0.42 1.00 -0.27 0.12 -0.38 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.074 0.058 0.073 [37] C 100. 2.76 4.00 -0.17 -0.11 -0.20 0.03 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [37] C 200. 2.89 4.00 -0.17 -0.11 -0.20 0.04 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.009 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -6993,8 +6993,8 @@ LS-scale= 6.354 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.01E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.01E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 -0.224 0.0E+00 0.151E+00 -1.49 SCALE [14] S/ESD 29 29 0.010 0.0E+00 0.75 E-02 1.4 C 13 Z @@ -7036,12 +7036,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.025 0.048 +[31] 0.038 0.025 0.048 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.064 0.047 0.093 +[31] 0.064 0.048 0.094 [03] Reversals @@ -7086,62 +7086,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.043 +[31] 0.044 0.036 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.45 0.10 [73] -0.01 0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.065 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.053 0.064 +[31] 0.066 0.053 0.064 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 0.00 0.01 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.065 +[31] 0.067 0.054 0.066 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.053 0.066 +[31] 0.068 0.053 0.066 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.052 0.066 +[31] 0.068 0.053 0.066 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0165 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7230,8 +7230,8 @@ LS-scale= 6.337 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.84E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.84E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7308,15 +7308,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.006 0.008 +[31] 0.010 0.006 0.008 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.016 [03] Reversals @@ -7361,62 +7361,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 -0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0659 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7505,8 +7505,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.76E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.76E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -7550,12 +7550,12 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.007 +[31] 0.006 0.005 0.008 [03] Reversals @@ -7600,62 +7600,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] -0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] -0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7744,8 +7744,8 @@ LS-scale= 6.338 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.73E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.73E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -7802,15 +7802,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [03] Reversals @@ -7855,62 +7855,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.48 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.48 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.48 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.042 [37] C 11. 0.42 1.00 -0.10 -0.08 -0.45 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 12. 0.42 1.00 0.00 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.055 0.066 +[31] 0.069 0.055 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.05 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.070 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.055 0.068 +[31] 0.071 0.055 0.069 [37] C 100. 2.59 4.00 -0.17 -0.11 -0.20 0.03 -0.0057 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -7920,7 +7920,7 @@ All cycle Rw 0.0 19. 0.10E+03 [24] F 5. 0.073 0.273 0.509 0.285 0.216 1.904 Might be split [24] F 6. 0.074 0.281 0.754 0.370 0.251 2.854 Might be split #CYCLENDS -#USE SHAPERING3.IN +#USE SHAPERING1.IN # # PUNCHED ON AT # @@ -7940,9 +7940,6 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. 3 Symmetry restraints written to LIST 17 #LIST 17 #REFINE 1 - Atom C 100 has U-iso too small, -0.0018 - 1 temperature factors less than the lowest allowed value of 0.00000 - The minimum value was -0.00183 Initialising Special positions @@ -7954,30 +7951,30 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. h k l Fo Fc -[61] 1. 1. 0. 60. 76. -[61] 4. 1. 0. 19. 14. -[61] -11. 2. 0. 1. 3. -[61] 10. 2. 0. 4. 5. -[61] 10. 3. 0. 2. 3. -[61] -5. 4. 0. 18. 14. -[61] -6. 6. 0. 8. 4. -[61] 0. 6. 0. 16. 10. +[61] 1. 1. 0. 65. 80. +[61] 4. 1. 0. 20. 14. +[61] 6. 1. 0. 17. 13. +[61] -11. 2. 0. 1. 2. +[61] 2. 2. 0. 34. 23. +[61] 3. 2. 0. 30. 20. +[61] 8. 2. 0. 10. 8. +[61] -3. 3. 0. 16. 10. +[61] -2. 3. 0. 36. 27. +[61] -1. 3. 0. 36. 27. +[61] 3. 3. 0. 11. 6. +[61] 6. 3. 0. 18. 12. +[61] -6. 4. 0. 18. 13. +[61] -5. 4. 0. 20. 12. +[61] 0. 4. 0. 23. 18. +[61] 6. 4. 0. 7. 5. +[61] -7. 5. 0. 11. 8. +[61] 6. 5. 0. 13. 10. +[61] -6. 6. 0. 8. 5. +[61] -1. 6. 0. 18. 11. [61] 5. 6. 0. 9. 7. -[61] 8. 6. 0. 5. 7. -[61] 0. 7. 0. 19. 14. -[61] 1. 7. 0. 12. 8. -[61] 2. 7. 0. 9. 11. -[61] 7. 7. 0. 4. 5. -[61] 4. 8. 0. 7. 6. -[61] 6. 8. 0. 5. 6. -[61] 2. 10. 0. 2. 3. -[61] 3. 10. 0. 2. 4. -[61] 2. 11. 0. 4. 5. -[61] -4. -10. 1. 5. 7. -[61] -3. -10. 1. 3. 5. -[61] -4. -9. 1. 5. 7. -[61] -8. -7. 1. 3. 5. -[61] 0. -7. 1. 4. 2. +[61] -4. 7. 0. 15. 11. +[61] -5. 9. 0. 7. 5. +[61] 2. 10. 0. 2. 2. And so on ------------ @@ -7986,22 +7983,22 @@ Refining 35 parameters in 1 block : 716 elements in the LS matrix. *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 10. 23. ************ +[62] 13. 27. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 34000 32000 3400 On scale of /FC/ +[33] 36000 32000 4900 On scale of /FC/ -[32] 211780 202020 21560 0.33 E+06 On scale of /FO/ +[32] 211780 186550 28630 0.45 E+06 On scale of /FO/ - New scale factor (G) is 6.196, 2803 reflections used in refinement + New scale factor (G) is 5.759, 2803 reflections used in refinement Structure factor least squares calculation 6 ends 2 -[29] SumFo/SumFc= 6.49 SumFoFc/SumFc^2= 6.32 SumwFoFc/SumwFc^2= 6.40 -LS-scale= 6.196 Wilson Scale= 0.000 -[27] - = 0.5 100*(-)/ = 4. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 5.759 Wilson Scale= 0.000 +[27] - = 1.5 100*(-)/ = 11. #DORESTRAIN #LIST 26 #DORESTRAIN @@ -8023,10 +8020,36 @@ LS-scale= 6.196 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.35E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 6.35E-05 -[13] LARGE 1 1 1.6 0.0E+00 0.1 E+00 8.6 SCALE -[14] S/ESD 2 2 0.303 0.0E+00 0.24 E-01 12.4 C 1 OCC +[80a] Block No 1. Single precision relative error: 1E-03 +Insufficient precision - trying double +[80a] Block No 1. Double precision relative error: 3E-12 +[80] (dp inverse) 1-norm: 2E+01 cond. number: 1E+04 rel. error: 3E-12 +[13] LARGE 1 1 7.1 0.0E+00 0.2 E+00 32.3 SCALE +[14] S/ESD 2 2 0.426 0.0E+00 0.62 E-01 6.8 C 1 OCC + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + +[14] S/ESD 3 3 -0.011 0.0E+00 0.69 E-02 -1.6 C 1 X +[14] S/ESD 4 4 0.011 0.0E+00 0.65 E-02 1.6 C 1 Y +[14] S/ESD 5 5 0.020 0.0E+00 0.85 E-02 2.3 C 1 Z +[14] S/ESD 6 6 0.047 0.0E+00 0.98 E-02 4.8 C 1 U[ISO] Composite Composite @@ -8043,13 +8066,19 @@ Block No 1. Single precision relative error: 6.35E-05 Composite +[14] S/ESD 8 8 0.017 0.0E+00 0.63 E-02 2.8 C 2 Y +[14] S/ESD 9 9 0.016 0.0E+00 0.86 E-02 1.9 C 2 Z +[14] S/ESD 10 10 -0.018 0.0E+00 0.69 E-02 -2.6 C 3 X +[14a] LARGE 11 11 -0.029 0.0E+00 0.62 E-02 -4.7 C 3 Y +[14] S/ESD 12 12 0.011 0.0E+00 0.89 E-02 1.3 C 3 Z +[14] S/ESD 13 13 -0.013 0.0E+00 0.67 E-02 -1.9 C 4 X +[14] S/ESD 17 17 -0.013 0.0E+00 0.64 E-02 -2.0 C 5 Y +[14] S/ESD 18 18 0.015 0.0E+00 0.85 E-02 1.8 C 5 Z +[14] S/ESD 19 19 0.222 0.0E+00 0.47 E-01 4.6 C 11 OCC Composite Composite -[14] S/ESD 4 4 -0.013 0.0E+00 0.35 E-02 -3.7 C 1 Y -[14] S/ESD 5 5 -0.016 0.0E+00 0.47 E-02 -3.5 C 1 Z -[14] S/ESD 6 6 0.038 0.0E+00 0.39 E-02 9.6 C 1 U[ISO] Composite Composite @@ -8066,9 +8095,8 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 11 11 0.010 0.0E+00 0.35 E-02 2.9 C 3 Y -[14] S/ESD 15 15 0.011 0.0E+00 0.47 E-02 2.4 C 4 Z -[14] S/ESD 22 22 -0.010 0.0E+00 0.56 E-02 -1.8 C 11 Z +[14a] LARGE 20 20 0.040 0.0E+00 0.18 E-01 2.1 C 11 X +[14] S/ESD 23 23 -0.017 0.0E+00 0.22 E-02 -7.7 C 11 U[ISO] Composite Composite @@ -8141,22 +8169,23 @@ Block No 1. Single precision relative error: 6.35E-05 Composite -[14] S/ESD 24 24 -0.013 0.0E+00 0.44 E-02 -3.1 C 12 X -[14] S/ESD 28 28 -0.012 0.0E+00 0.42 E-02 -2.8 C 13 Y -[14] S/ESD 33 33 -0.014 0.0E+00 0.45 E-02 -3.2 C 15 X -[14] S/ESD 34 34 -0.010 0.0E+00 0.42 E-02 -2.4 C 15 Y -[14] S/ESD 35 35 -0.010 0.0E+00 0.56 E-02 -1.9 C 15 Z +[14] S/ESD 24 24 0.020 0.0E+00 0.18 E-01 1.1 C 12 X +[14] S/ESD 25 25 0.019 0.0E+00 0.17 E-01 1.0 C 12 Y +[14a] LARGE 28 28 0.031 0.0E+00 0.17 E-01 1.7 C 13 Y +[14a] LARGE 30 30 -0.024 0.0E+00 0.19 E-01 -1.2 C 14 X +[14a] LARGE 32 32 -0.039 0.0E+00 0.23 E-01 -1.6 C 14 Z +[14a] LARGE 33 33 0.037 0.0E+00 0.18 E-01 1.9 C 15 X for 35 parameters -[64] The rms (shift/su) = 3. +[64] The rms (shift/su) = 6. [64] The mean abs(shift/su) = 2. - The largest (shift/esd) = 12.43, for Parameter 2, C1OCC + The largest (shift/esd) = 32.33, for Parameter 1, SCALE Min Actual Max -All cycle R-factor 0.0 10. 0.10E+03 -All cycle Rw 0.0 24. 0.10E+03 +All cycle R-factor 0.0 14. 0.10E+03 +All cycle Rw 0.0 28. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.33E+06 0.10E+16 +All cycle Min function 0.0 0.45E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -8167,8 +8196,8 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.33E+06 0.0E+00 0.33E+06 -[45] Hamilton weighted R-value 23. 0.00 23. +[30] Minimisation function 0.45E+06 0.0E+00 0.45E+06 +[45] Hamilton weighted R-value 27. 0.00 27. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8181,16 +8210,16 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 1.62 0.15 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 -0.01 -0.01 +[38] Mean 7.10 0.32 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.032 0.030 -[71] R.M.S. 1. 0.21 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.087 0.072 0.079 +[71] R.M.S. 7. 0.34 0.03 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.242 0.164 0.152 -[70] Maximum 1. 0.30 0.03 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.161 0.123 0.147 +[70] Maximum 7. 0.42 0.04 0.04 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.443 0.294 0.344 [03] Reversals @@ -8221,9 +8250,9 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 -[41] 0.13 0.00 0.00 -[41] 0.09 0.00 0.00 +[41] 6.34 0.05 0.05 +[41] 0.58 0.00 0.00 +[41] 0.11 0.00 0.00 @@ -8232,66 +8261,66 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.91 1.00 -0.14 -0.10 -0.31 0.09 -[73] 0.30 -0.00 -0.01 -0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 2. 0.91 1.00 -0.11 -0.21 -0.18 0.09 -[73] 0.30 -0.00 0.00 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 - -[37] C 3. 0.91 1.00 -0.17 -0.19 -0.09 0.09 -[73] 0.30 0.00 0.01 -0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.041 +[37] C 1. 0.95 1.00 -0.13 -0.10 -0.29 0.11 +[73] 0.42 -0.01 0.01 0.02 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.061 0.075 -[37] C 4. 0.91 1.00 -0.25 -0.06 -0.16 0.09 -[73] 0.30 0.00 0.00 0.01 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 2. 0.95 1.00 -0.11 -0.19 -0.18 0.11 +[73] 0.42 -0.00 0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.076 -[37] C 5. 0.91 1.00 -0.22 -0.01 -0.28 0.09 -[73] 0.30 0.00 0.00 0.00 0.03 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[37] C 3. 0.95 1.00 -0.19 -0.20 -0.09 0.11 +[73] 0.42 -0.01 -0.02 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.077 0.060 0.078 -[37] C 11. 0.56 1.00 -0.10 -0.08 -0.44 0.07 -[73] 0.01 -0.00 -0.00 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 4. 0.95 1.00 -0.26 -0.05 -0.17 0.11 +[73] 0.42 -0.01 0.00 0.00 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.075 0.061 0.075 -[37] C 12. 0.56 1.00 -0.01 -0.33 -0.14 0.07 -[73] 0.01 -0.01 0.00 -0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.049 0.039 0.048 +[37] C 5. 0.95 1.00 -0.21 -0.01 -0.28 0.11 +[73] 0.42 0.00 -0.01 0.01 0.04 +[73] 0.06 0.00 0.00 0.00 0.00 +[31] 0.076 0.061 0.074 -[37] C 13. 0.56 1.00 -0.18 -0.26 0.05 0.07 -[73] 0.01 -0.00 -0.01 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 11. 0.54 1.00 -0.07 -0.06 -0.47 0.11 +[73] 0.22 0.04 0.00 -0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.206 0.169 0.205 -[37] C 14. 0.56 1.00 -0.33 -0.01 -0.06 0.07 -[73] 0.01 -0.00 0.00 0.00 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 12. 0.54 1.00 0.00 -0.30 -0.16 0.11 +[73] 0.22 0.02 0.01 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.203 0.167 0.195 -[37] C 15. 0.56 1.00 -0.27 0.13 -0.37 0.07 -[73] 0.01 -0.01 -0.01 -0.01 0.00 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.050 0.040 0.049 +[37] C 13. 0.54 1.00 -0.18 -0.25 0.04 0.11 +[73] 0.22 -0.00 0.03 0.01 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.209 0.168 0.200 -[37] C 100. 0.44 4.00 -0.20 -0.14 -0.22 0.00 - -1.5155 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 14. 0.54 1.00 -0.34 0.00 -0.10 0.11 +[73] 0.22 -0.02 -0.01 -0.03 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.212 0.167 0.207 -[37] C 200. 2.17 4.00 -0.20 -0.14 -0.23 0.02 - -0.0767 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 0.0087 -[22] 0.09 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 -[84] Mean C-C su = 0.03 +[37] C 15. 0.54 1.00 -0.24 0.14 -0.36 0.11 +[73] 0.22 0.03 0.00 0.00 -0.01 +[73] 0.04 0.01 0.01 0.02 0.00 +[31] 0.207 0.163 0.203 + +[37] C 100. 0.22 4.00 -0.16 -0.09 -0.18 0.04 + -2.1337 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.31 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 + +[37] C 200. 2.28 4.00 -0.16 -0.10 -0.19 0.06 + -1.1126 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 -0.0172 +[22] 0.23 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 +[31] 0.025 0.021 0.019 +[84] Mean C-C su = 0.11 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8314,30 +8343,30 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 h k l Fo Fc -[61] 2. 10. 0. 2. 2. -[61] 3. 10. 0. 2. 4. -[61] -8. -7. 1. 3. 4. -[61] 0. -7. 1. 4. 3. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. +[61] 3. 10. 0. 2. 3. +[61] -3. -6. 1. 4. 6. [61] 10. -4. 1. 3. 5. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. -[61] 10. -1. 1. 2. 4. -[61] 4. 0. 1. 23. 16. +[61] 10. -1. 1. 2. 5. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. -[61] 2. 1. 1. 14. 19. -[61] 4. 2. 1. 17. 11. -[61] 2. 10. 1. 3. 4. -[61] -5. -5. 2. 4. 6. +[61] -5. -5. 2. 4. 7. [61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 3. -[61] 9. -3. 2. 3. 6. +[61] 9. -3. 2. 3. 5. [61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. +[61] 4. -1. 2. 7. 3. +[61] 9. -1. 2. 2. 4. +[61] 9. 0. 2. 2. 5. +[61] 5. 2. 2. 3. 6. +[61] 4. 4. 2. 6. 3. +[61] 3. -6. 3. 3. 1. +[61] 8. -4. 3. 3. 5. +[61] -2. -3. 3. 8. 12. +[61] 8. -3. 3. 3. 6. +[61] 8. -2. 3. 1. 3. +[61] 8. -1. 3. 1. 3. +[61] 8. 0. 3. 2. 3. And so on ------------ @@ -8346,7 +8375,7 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 8. 20. ************ +[62] 8. 21. ************ *** *** @@ -8354,14 +8383,14 @@ All cycle Min function 0.0 0.33E+06 0.10E+16 [33] 33000 32000 2700 On scale of /FC/ -[32] 211780 205420 17410 0.25 E+06 On scale of /FO/ +[32] 211780 205850 17550 0.26 E+06 On scale of /FO/ - New scale factor (G) is 6.326, 2803 reflections used in refinement + New scale factor (G) is 6.346, 2803 reflections used in refinement Structure factor least squares calculation 7 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.47 -LS-scale= 6.326 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.37 SumwFoFc/SumwFc^2= 6.48 +LS-scale= 6.346 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8379,9 +8408,9 @@ LS-scale= 6.326 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.88E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+02 rel. error: 5.88E-05 -[14] S/ESD 2 2 0.030 0.1E+00 0.24 E-01 1.2 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.229 -0.5E+00 0.45 E-01 -5.0 C 1 OCC Composite Composite @@ -8402,7 +8431,8 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 6 6 -0.015 -0.4E+00 0.36 E-02 -4.2 C 1 U[ISO] +[14] S/ESD 5 5 -0.015 -0.8E+00 0.45 E-02 -3.3 C 1 Z +[14] S/ESD 6 6 -0.039 -0.8E+00 0.46 E-02 -8.6 C 1 U[ISO] Composite Composite @@ -8419,7 +8449,13 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 19 19 -0.042 -0.3E+01 0.19 E-01 -2.2 C 11 OCC +[14] S/ESD 8 8 -0.014 -0.8E+00 0.34 E-02 -4.1 C 2 Y +[14] S/ESD 9 9 -0.014 -0.8E+00 0.47 E-02 -2.9 C 2 Z +[14] S/ESD 10 10 0.013 -0.7E+00 0.39 E-02 3.4 C 3 X +[14] S/ESD 11 11 0.014 -0.5E+00 0.36 E-02 3.9 C 3 Y +[14] S/ESD 16 16 -0.010 -0.1E+01 0.36 E-02 -2.8 C 5 X +[14] S/ESD 18 18 -0.013 -0.8E+00 0.46 E-02 -2.8 C 5 Z +[14] S/ESD 19 19 -0.142 -0.6E+00 0.29 E-01 -4.8 C 11 OCC Composite Composite @@ -8440,8 +8476,7 @@ Block No 1. Single precision relative error: 5.88E-05 Composite -[14] S/ESD 22 22 -0.010 0.1E+01 0.50 E-02 -2.1 C 11 Z -[14] S/ESD 23 23 0.013 0.2E+01 0.14 E-02 9.1 C 11 U[ISO] +[14a] LARGE 22 22 0.032 -0.2E+01 0.76 E-02 4.2 C 11 Z Composite Composite @@ -8514,19 +8549,23 @@ Block No 1. Single precision relative error: 5.88E-05 Composite +[14] S/ESD 26 26 0.014 0.5E+01 0.77 E-02 1.9 C 12 Z +[14] S/ESD 30 30 0.010 -0.4E+00 0.63 E-02 1.5 C 14 X +[14] S/ESD 32 32 0.012 -0.3E+00 0.78 E-02 1.6 C 14 Z +[14] S/ESD 34 34 0.010 0.4E+01 0.58 E-02 1.8 C 15 Y for 35 parameters [64] The rms (shift/su) = 2. [64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 9.1 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 8.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 8.2 0.10E+03 +All cycle R-factor 0.0 8.3 0.10E+03 All cycle Rw 0.0 21. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.25E+06 0.10E+16 -Inter cycle R-factor -5.0 2.0 0.10E+03 -Inter cycle Rw -5.0 3.1 0.10E+03 +All cycle Min function 0.0 0.26E+06 0.10E+16 +Inter cycle R-factor -5.0 5.2 0.10E+03 +Inter cycle Rw -5.0 6.8 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8539,8 +8578,8 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.25E+06 0.0E+00 0.25E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.26E+06 0.0E+00 0.26E+06 +[45] Hamilton weighted R-value 21. 0.00 21. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8553,16 +8592,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.02 -0.02 +[38] Mean -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.018 0.015 0.015 -[71] R.M.S. 0. 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.053 0.038 0.049 +[71] R.M.S. 0. 0.19 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.077 0.075 0.125 -[70] Maximum 0. 0.04 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.097 0.090 0.095 +[70] Maximum 0. 0.22 0.03 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.150 0.135 0.282 [03] Reversals @@ -8593,7 +8632,7 @@ Inter cycle Rw -5.0 3.1 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.32 0.05 0.05 +[41] 6.34 0.05 0.05 [41] -0.00 0.00 0.00 [41] 0.08 0.00 0.00 @@ -8604,66 +8643,66 @@ Inter cycle Rw -5.0 3.1 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.94 1.00 -0.13 -0.10 -0.30 0.07 -[73] 0.03 0.00 -0.00 0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.034 +[37] C 1. 0.72 1.00 -0.13 -0.10 -0.31 0.07 +[73] -0.22 -0.00 -0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.042 0.033 0.040 -[37] C 2. 0.94 1.00 -0.11 -0.21 -0.19 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.029 0.035 +[37] C 2. 0.72 1.00 -0.11 -0.21 -0.19 0.07 +[73] -0.22 -0.00 -0.01 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.032 0.041 -[37] C 3. 0.94 1.00 -0.18 -0.20 -0.09 0.07 -[73] 0.03 -0.00 -0.00 -0.00 -0.01 -[73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.037 0.029 0.035 +[37] C 3. 0.72 1.00 -0.18 -0.19 -0.10 0.07 +[73] -0.22 0.01 0.01 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.043 0.034 0.041 -[37] C 4. 0.94 1.00 -0.25 -0.06 -0.16 0.07 -[73] 0.03 -0.00 0.00 0.00 -0.01 +[37] C 4. 0.72 1.00 -0.25 -0.05 -0.17 0.07 +[73] -0.22 0.00 -0.00 -0.00 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.033 0.041 + +[37] C 5. 0.72 1.00 -0.22 0.00 -0.29 0.07 +[73] -0.22 -0.01 0.00 -0.01 -0.03 +[73] 0.04 0.00 0.00 0.00 0.00 +[31] 0.041 0.034 0.040 + +[37] C 11. 0.40 1.00 -0.07 -0.06 -0.43 0.10 +[73] -0.14 0.00 0.00 0.03 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.035 0.028 0.035 +[31] 0.068 0.054 0.067 -[37] C 5. 0.94 1.00 -0.22 -0.01 -0.29 0.07 -[73] 0.03 -0.00 0.00 -0.00 -0.01 +[37] C 12. 0.40 1.00 0.00 -0.31 -0.14 0.10 +[73] -0.14 0.00 -0.00 0.01 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.036 0.028 0.035 +[31] 0.069 0.056 0.067 -[37] C 11. 0.52 1.00 -0.11 -0.09 -0.45 0.08 -[73] -0.04 -0.00 -0.00 -0.01 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 13. 0.40 1.00 -0.18 -0.25 0.04 0.10 +[73] -0.14 -0.00 -0.00 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.072 0.057 0.069 -[37] C 12. 0.52 1.00 -0.01 -0.33 -0.15 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.044 +[37] C 14. 0.40 1.00 -0.33 0.00 -0.08 0.10 +[73] -0.14 0.01 0.00 0.01 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.054 0.068 -[37] C 13. 0.52 1.00 -0.18 -0.27 0.05 0.08 -[73] -0.04 -0.00 -0.00 0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[37] C 15. 0.40 1.00 -0.24 0.15 -0.36 0.10 +[73] -0.14 -0.00 0.01 0.00 -0.00 +[73] 0.02 0.00 0.00 0.00 0.00 +[31] 0.070 0.055 0.068 -[37] C 14. 0.52 1.00 -0.33 -0.01 -0.06 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[37] C 100. 1.36 4.00 -0.16 -0.10 -0.19 0.04 +[22] 1.14 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.22 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 -[37] C 15. 0.52 1.00 -0.27 0.12 -0.38 0.08 -[73] -0.04 -0.00 -0.00 -0.00 0.01 -[73] 0.01 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 - -[37] C 100. 0.29 4.00 -0.18 -0.12 -0.21 0.02 - -0.1516 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.12 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 - -[37] C 200. 2.38 4.00 -0.19 -0.12 -0.22 0.03 -[22] 0.21 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 -[22] 0.09 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 0.0015 -[31] 0.016 0.014 0.012 -[84] Mean C-C su = 0.03 +[37] C 200. 2.99 4.00 -0.17 -0.10 -0.20 0.05 +[22] 0.71 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 -0.0083 +[22] 0.14 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 0.0025 +[31] 0.028 0.024 0.022 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -8686,18 +8725,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 h k l Fo Fc +[61] 1. 1. 0. 59. 77. [61] -11. 2. 0. 1. 3. -[61] -6. 6. 0. 8. 6. -[61] 0. 6. 0. 16. 12. -[61] 1. 7. 0. 11. 8. -[61] 3. 10. 0. 2. 3. +[61] -6. 6. 0. 8. 5. [61] -2. -11. 1. 5. 6. [61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. -[61] -9. -6. 1. 1. 2. -[61] -3. -6. 1. 4. 5. [61] -7. -5. 1. 8. 6. -[61] -6. -5. 1. 7. 5. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. @@ -8706,10 +8739,16 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [61] 10. -2. 1. 2. 4. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. -[61] 4. 0. 1. 23. 16. +[61] 4. 0. 1. 23. 17. [61] 10. 0. 1. 1. 3. -[61] -11. 1. 1. 2. 3. +[61] 0. 5. 1. 7. 5. +[61] -8. -7. 2. 2. 3. +[61] -5. -5. 2. 4. 6. +[61] -8. -4. 2. 10. 7. +[61] 9. -4. 2. 2. 4. +[61] -2. -3. 2. 15. 20. +[61] 5. -3. 2. 5. 3. +[61] 9. -3. 2. 3. 5. And so on ------------ @@ -8718,22 +8757,22 @@ Inter cycle Rw -5.0 3.1 0.10E+03 *** R-value Weighted R ************ ************ ************* HERE IT IS ************ -[62] 7. 20. ************ +[62] 7. 19. ************ *** *** Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2600 On scale of /FC/ +[33] 33000 32000 2500 On scale of /FC/ -[32] 211780 205320 16930 0.23 E+06 On scale of /FO/ +[32] 211780 205760 16140 0.22 E+06 On scale of /FO/ - New scale factor (G) is 6.324, 2803 reflections used in refinement + New scale factor (G) is 6.344, 2803 reflections used in refinement Structure factor least squares calculation 8 ends 2 -[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.48 -LS-scale= 6.324 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.52 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.344 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -8751,30 +8790,9 @@ LS-scale= 6.324 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.59E-05 -[14] S/ESD 2 2 -0.276 -0.9E+01 0.31 E-01 -8.6 C 1 OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - -[14] S/ESD 19 19 -0.068 0.2E+01 0.23 E-01 -2.9 C 11 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.151 0.7E+00 0.39 E-01 -3.8 C 1 OCC Composite Composite @@ -8795,7 +8813,7 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 23 23 0.010 0.8E+00 0.17 E-02 6.1 C 11 U[ISO] +[14] S/ESD 23 23 -0.010 0.1E+01 0.15 E-02 -6.4 C 11 U[ISO] Composite Composite @@ -8868,23 +8886,20 @@ Block No 1. Single precision relative error: 7.59E-05 Composite -[14] S/ESD 27 27 -0.011 0.2E+02 0.49 E-02 -2.2 C 13 X -[14] S/ESD 28 28 -0.011 0.2E+01 0.45 E-02 -2.4 C 13 Y -[14] S/ESD 29 29 -0.010 -0.5E+01 0.60 E-02 -1.7 C 13 Z -[14] S/ESD 32 32 -0.010 0.3E+01 0.61 E-02 -1.7 C 14 Z +[14] S/ESD 27 27 0.013 -0.2E+02 0.74 E-02 1.7 C 13 X for 35 parameters -[64] The rms (shift/su) = 2. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 8.6 , for Parameter 2, C1OCC +[64] The rms (shift/su) = 1. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 6.4 , for Parameter 23, C11U[11] Min Actual Max -All cycle R-factor 0.0 8.0 0.10E+03 +All cycle R-factor 0.0 7.6 0.10E+03 All cycle Rw 0.0 20. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.24E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.2 0.1 E+03 -[26] Inter cycle Rw -5.0 0.6 0.1 E+03 +All cycle Min function 0.0 0.23E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.6 0.1 E+03 +Inter cycle Rw -5.0 1.5 0.10E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -8897,8 +8912,8 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Statistics for 35 least squares parameters, with 2771 degrees of freedom Number of observations 2803 3 2806 -[30] Minimisation function 0.23E+06 0.0E+00 0.23E+06 -[45] Hamilton weighted R-value 20. 0.00 20. +[30] Minimisation function 0.22E+06 0.0E+00 0.22E+06 +[45] Hamilton weighted R-value 19. 0.00 19. * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * @@ -8911,16 +8926,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.15 -0.17 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.02 -0.01 -0.01 +[38] Mean -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.018 -[71] R.M.S. 0. 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.072 0.061 0.058 +[71] R.M.S. 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.069 0.041 0.045 -[70] Maximum 0. 0.27 0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.106 0.091 +[70] Maximum 0. 0.15 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.147 0.066 0.079 [03] Reversals @@ -8952,7 +8967,7 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.01 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -8962,66 +8977,66 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.66 1.00 -0.13 -0.10 -0.30 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 1. 0.57 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 2. 0.66 1.00 -0.11 -0.20 -0.18 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 2. 0.57 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.15 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.036 0.028 0.035 -[37] C 3. 0.66 1.00 -0.17 -0.19 -0.09 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 3. 0.57 1.00 -0.18 -0.19 -0.10 0.06 +[73] -0.15 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.035 -[37] C 4. 0.66 1.00 -0.25 -0.06 -0.16 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 4. 0.57 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.028 0.023 0.028 +[31] 0.034 0.028 0.034 -[37] C 5. 0.66 1.00 -0.22 -0.01 -0.28 0.07 -[73] -0.27 0.00 0.00 0.00 -0.00 +[37] C 5. 0.57 1.00 -0.22 0.00 -0.29 0.06 +[73] -0.15 0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.029 0.023 0.028 +[31] 0.035 0.028 0.034 -[37] C 11. 0.45 1.00 -0.11 -0.09 -0.46 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 11. 0.38 1.00 -0.07 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.052 0.042 0.051 +[31] 0.079 0.064 0.078 -[37] C 12. 0.45 1.00 -0.02 -0.33 -0.16 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 12. 0.38 1.00 0.01 -0.30 -0.14 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.079 0.064 0.077 -[37] C 13. 0.45 1.00 -0.19 -0.28 0.04 0.09 -[73] -0.06 -0.01 -0.01 -0.01 0.01 +[37] C 13. 0.38 1.00 -0.16 -0.24 0.05 0.09 +[73] -0.01 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.083 0.065 0.080 -[37] C 14. 0.45 1.00 -0.34 -0.02 -0.07 0.09 -[73] -0.06 -0.00 -0.00 -0.01 0.01 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.054 0.043 0.053 +[31] 0.082 0.064 0.080 -[37] C 15. 0.45 1.00 -0.28 0.11 -0.38 0.09 -[73] -0.06 -0.00 -0.00 -0.00 0.01 +[37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 +[73] -0.01 -0.00 0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.053 0.042 0.052 +[31] 0.081 0.064 0.080 -[37] C 100. 1.67 4.00 -0.17 -0.11 -0.20 0.03 -[22] 1.38 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.15 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 +[37] C 100. 2.12 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.75 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.19 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 -[37] C 200. 2.73 4.00 -0.18 -0.11 -0.21 0.04 -[22] 0.34 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 0.0106 -[22] 0.11 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 -[31] 0.019 0.016 0.015 -[84] Mean C-C su = 0.03 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.09 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 -0.0102 +[22] 0.13 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 +[31] 0.018 0.015 0.014 +[84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split [24] F 2. 0.061 0.173 0.493 0.242 0.174 1.393 Might be split @@ -9044,30 +9059,30 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 h k l Fo Fc +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. +[61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. -[61] 5. -2. 1. 9. 5. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. +[61] 5. -2. 1. 9. 4. [61] 10. -2. 1. 2. 4. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. -[61] -11. 0. 1. 2. 3. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] 6. 5. 1. 5. 4. +[61] -2. 1. 1. 62. 76. +[61] 1. 6. 1. 13. 10. [61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. -[61] 9. -3. 2. 3. 5. -[61] 9. -2. 2. 2. 4. -[61] 4. -1. 2. 7. 2. -[61] 9. -1. 2. 2. 3. And so on ------------ @@ -9082,16 +9097,16 @@ All cycle Min function 0.0 0.24E+06 0.10E+16 Sum of /FO/ Sum of /FC/ Sum of /Delta/ Minimization function -[33] 33000 32000 2500 On scale of /FC/ +[33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205390 15850 0.21 E+06 On scale of /FO/ +[32] 211780 205530 15810 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.336, 2803 reflections used in refinement + New scale factor (G) is 6.338, 2803 reflections used in refinement Structure factor least squares calculation 9 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.336 Wilson Scale= 0.000 -[27] - = 0.3 100*(-)/ = 3. +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.338 Wilson Scale= 0.000 +[27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9109,9 +9124,9 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.40E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.40E-04 -[14] S/ESD 2 2 -0.192 0.7E+00 0.35 E-01 -5.3 C 1 OCC +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 +[14] S/ESD 2 2 -0.063 0.4E+00 0.35 E-01 -1.8 C 1 OCC Composite Composite @@ -9132,7 +9147,6 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 6 6 -0.015 0.8E+01 0.37 E-02 -4.1 C 1 U[ISO] Composite Composite @@ -9149,114 +9163,21 @@ Block No 1. Single precision relative error: 1.40E-04 Composite -[14] S/ESD 19 19 -0.043 0.6E+00 0.24 E-01 -1.7 C 11 OCC - Composite - Composite + for 35 parameters +[64] The rms (shift/su) = 0. +[64] The mean abs(shift/su) = 0. +[05] The largest (shift/esd) = 1.8 , for Parameter 2, C1OCC - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - - for 35 parameters -[64] The rms (shift/su) = 1. -[64] The mean abs(shift/su) = 1. -[05] The largest (shift/esd) = 5.3 , for Parameter 2, C1OCC - - Min Actual Max -All cycle R-factor 0.0 7.5 0.10E+03 -All cycle Rw 0.0 19. 0.10E+03 -[06] All cycle shift/esd -All cycle Min function 0.0 0.22E+06 0.10E+16 -[26] Inter cycle R-factor -5.0 0.5 0.1 E+03 -[26] Inter cycle Rw -5.0 0.7 0.1 E+03 -[69] Inter cycle shift/esd -[07] Inter cycle Min function 0.0 + Min Actual Max +All cycle R-factor 0.0 7.5 0.10E+03 +All cycle Rw 0.0 19. 0.10E+03 +[06] All cycle shift/esd +All cycle Min function 0.0 0.22E+06 0.10E+16 +[26] Inter cycle R-factor -5.0 0.1 0.1 E+03 +[26] Inter cycle Rw -5.0 0.3 0.1 E+03 +[69] Inter cycle shift/esd +[07] Inter cycle Min function 0.0 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9281,16 +9202,16 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.04 -0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[89] -0.01 0.00 0.00 +[38] Mean -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] -0.000 0.000 0.001 -[71] R.M.S. 0. 0.13 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.032 0.046 +[71] R.M.S. 0. 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.038 0.030 0.023 -[70] Maximum 0. 0.19 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.094 0.052 0.071 +[70] Maximum 0. 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.084 0.044 0.037 [03] Reversals @@ -9322,7 +9243,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM [41] 6.33 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9332,65 +9253,65 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.47 1.00 -0.14 -0.10 -0.30 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.037 +[31] 0.041 0.033 0.040 -[37] C 2. 0.47 1.00 -0.12 -0.21 -0.19 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 3. 0.47 1.00 -0.18 -0.19 -0.09 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 3. 0.51 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.039 0.031 0.038 +[31] 0.042 0.033 0.041 -[37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 4. 0.51 1.00 -0.25 -0.05 -0.17 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.06 -[73] -0.19 -0.00 -0.00 -0.00 -0.01 +[37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 +[73] -0.06 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.031 0.038 +[31] 0.041 0.033 0.040 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.052 0.064 +[31] 0.077 0.061 0.075 -[37] C 12. 0.40 1.00 -0.02 -0.33 -0.15 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.064 0.051 0.062 +[31] 0.075 0.061 0.074 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.04 -0.00 -0.00 -0.00 0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] -0.01 0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.052 0.063 +[31] 0.078 0.062 0.075 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.04 -0.00 0.00 -0.00 0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] -0.01 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.066 0.052 0.064 +[31] 0.077 0.061 0.076 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.04 0.00 0.00 0.00 0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.36 0.09 +[73] -0.01 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.065 0.051 0.063 +[31] 0.077 0.061 0.076 -[37] C 100. 2.63 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.96 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.17 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 100. 2.44 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.31 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.05 -[22] 0.21 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 0.0049 -[22] 0.12 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 -[31] 0.014 0.012 0.011 +[37] C 200. 3.14 4.00 -0.18 -0.11 -0.21 0.04 +[22] 0.05 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 +[22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 +[31] 0.013 0.011 0.010 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9415,30 +9336,30 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. +[61] 0. -7. 1. 4. 3. +[61] -7. -5. 1. 8. 6. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. +[61] -11. -2. 1. 2. 1. [61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. -[61] 9. -4. 2. 2. 4. -[61] 5. -3. 2. 5. 2. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. And so on ------------ @@ -9455,13 +9376,13 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205450 15700 0.21 E+06 On scale of /FO/ +[32] 211780 205500 15780 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.339, 2803 reflections used in refinement + New scale factor (G) is 6.337, 2803 reflections used in refinement Structure factor least squares calculation 10 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.339 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.337 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9480,91 +9401,19 @@ LS-scale= 6.339 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.75E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.75E-04 - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - - Composite - +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 1.0 , for Parameter 23, C11U[11] +[05] The largest (shift/esd) = 0.6 , for Parameter 6, C1U[11] Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 +All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time @@ -9589,16 +9438,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[38] Mean -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[89] 0.00 0.00 0.00 -[71] R.M.S. 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.016 +[71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.012 0.009 0.009 -[70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.027 0.030 +[70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[31] 0.022 0.019 0.017 [03] Reversals @@ -9629,8 +9478,8 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 -[41] 0.00 0.00 0.00 +[41] 6.33 0.05 0.05 +[41] -0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9640,65 +9489,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.44 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.02 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.44 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.01 0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.44 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.02 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.49 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.01 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.043 -[37] C 4. 0.44 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.02 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.44 1.00 -0.22 -0.01 -0.28 0.05 -[73] -0.02 -0.00 -0.00 0.00 -0.00 +[37] C 5. 0.49 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.01 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.40 1.00 -0.10 -0.09 -0.45 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 11. 0.37 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.079 0.063 0.077 -[37] C 12. 0.40 1.00 -0.01 -0.33 -0.15 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 12. 0.37 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.071 +[31] 0.078 0.063 0.076 -[37] C 13. 0.40 1.00 -0.19 -0.28 0.04 0.10 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 13. 0.37 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.080 0.063 0.077 -[37] C 14. 0.40 1.00 -0.34 -0.02 -0.07 0.10 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 14. 0.37 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.059 0.073 +[31] 0.079 0.062 0.078 -[37] C 15. 0.40 1.00 -0.27 0.11 -0.37 0.10 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 15. 0.37 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.079 0.063 0.078 -[37] C 100. 2.77 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.14 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.18 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.08 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 -[37] C 200. 2.95 4.00 -0.17 -0.11 -0.20 0.04 -[22] 0.00 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -0.0011 -[22] 0.12 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 + -0.0420 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9722,30 +9571,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 5. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. -[61] -2. 1. 1. 62. 76. -[61] 6. 6. 1. 3. 2. -[61] -5. -5. 2. 4. 6. +[61] -2. 1. 1. 62. 77. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -2. -11. 2. 3. 3. And so on ------------ @@ -9762,13 +9611,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 11 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -9787,21 +9636,93 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.70E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.70E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + + Composite + for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.2 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.1 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-02 0.1 E+03 -[25] Inter cycle Rw -5.0 0. E-01 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-01 0.1 E+03 +[25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -9828,16 +9749,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.005 0.005 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.008 0.011 +[31] 0.010 0.011 0.007 [03] Reversals @@ -9868,7 +9789,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -9879,65 +9800,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 -0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.035 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.077 0.062 0.076 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 -0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.074 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.078 0.062 0.076 -[37] C 14. 0.41 1.00 -0.34 -0.02 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.078 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.078 0.061 0.076 -[37] C 100. 2.81 4.00 -0.17 -0.11 -0.20 0.03 -[22] 0.04 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 +[22] 0.02 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 -[37] C 200. 2.94 4.00 -0.17 -0.11 -0.20 0.04 - -0.0154 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.008 +[37] C 200. 3.09 4.00 -0.18 -0.11 -0.21 0.04 + -0.0145 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -9961,30 +9882,30 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. -[61] -1. -1. 1. 62. 76. +[61] -1. -1. 1. 62. 77. [61] 0. -1. 1. 72. 92. [61] 10. -1. 1. 2. 4. [61] 4. 0. 1. 23. 16. [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10001,13 +9922,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 12 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10026,20 +9947,20 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.1 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 24, C12X Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd -All cycle Min function 0.0 0.21E+06 0.10E+16 -[25] Inter cycle R-factor -5.0 0. E-03 0.1 E+03 +All cycle Min function 0.0 0.22E+06 0.10E+16 +[25] Inter cycle R-factor -5.0 -0. E-02 0.1 E+03 [25] Inter cycle Rw -5.0 0. E-02 0.1 E+03 [69] Inter cycle shift/esd [07] Inter cycle Min function 0.0 @@ -10067,16 +9988,16 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.006 0.004 0.003 [03] Reversals @@ -10107,7 +10028,7 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10118,65 +10039,65 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 -0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.072 +[31] 0.077 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 -0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.078 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 -0.00 0.00 -0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.076 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0072 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10200,20 +10121,18 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 h k l Fo Fc -[61] 4. 1. 0. 18. 14. +[61] 1. 1. 0. 59. 76. [61] -11. 2. 0. 1. 3. -[61] -1. 2. 0. 55. 67. -[61] -3. 3. 0. 14. 11. [61] -5. 4. 0. 18. 14. [61] -6. 6. 0. 8. 5. -[61] 2. 10. 0. 2. 1. +[61] 3. 10. 0. 2. 3. [61] -2. -11. 1. 5. 6. -[61] 0. -7. 1. 4. 2. -[61] 9. -7. 1. 4. 6. +[61] 0. -7. 1. 4. 3. [61] 10. -4. 1. 3. 5. [61] 4. -3. 1. 22. 16. [61] 10. -3. 1. 2. 4. -[61] 0. -2. 1. 11. 15. +[61] -11. -2. 1. 2. 1. +[61] 0. -2. 1. 11. 14. [61] 5. -2. 1. 9. 5. [61] 10. -2. 1. 2. 4. [61] -1. -1. 1. 62. 77. @@ -10223,7 +10142,9 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [61] 10. 0. 1. 1. 2. [61] -11. 1. 1. 2. 3. [61] -2. 1. 1. 62. 77. -[61] 6. 6. 1. 3. 2. +[61] 6. 5. 1. 5. 4. +[61] 1. 6. 1. 13. 10. +[61] -5. -5. 2. 4. 6. And so on ------------ @@ -10240,13 +10161,13 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [33] 33000 32000 2400 On scale of /FC/ -[32] 211780 205490 15690 0.21 E+06 On scale of /FO/ +[32] 211780 205490 15800 0.21 E+06 On scale of /FO/ - New scale factor (G) is 6.340, 2803 reflections used in refinement + New scale factor (G) is 6.336, 2803 reflections used in refinement Structure factor least squares calculation 13 ends 2 -[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.36 SumwFoFc/SumwFc^2= 6.50 -LS-scale= 6.340 Wilson Scale= 0.000 +[29] SumFo/SumFc= 6.53 SumFoFc/SumFc^2= 6.35 SumwFoFc/SumwFc^2= 6.49 +LS-scale= 6.336 Wilson Scale= 0.000 [27] - = 0.3 100*(-)/ = 2. #DORESTRAIN #INVERT DEFA @@ -10265,16 +10186,16 @@ LS-scale= 6.340 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.66E-04 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. [64] The mean abs(shift/su) = 0. -[05] The largest (shift/esd) = 0.0 , for Parameter 12, C3Z +[05] The largest (shift/esd) = 0.0 , for Parameter 25, C12Y Min Actual Max -All cycle R-factor 0.0 7.4 0.10E+03 +All cycle R-factor 0.0 7.5 0.10E+03 All cycle Rw 0.0 19. 0.10E+03 [06] All cycle shift/esd Forced termination after this cycle: Actual value condition on: shift/esd @@ -10302,16 +10223,16 @@ All cycle Rw 0.0 19. 0.10E+03 Overall Occ U[iso] X Y Z U[11] U[22] U[33] U[23] U[13] U[12] -[38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[38] Mean 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.003 0.004 0.001 [03] Reversals @@ -10342,7 +10263,7 @@ All cycle Rw 0.0 19. 0.10E+03 SCALE DU[ISO] OU[ISO] POLARITY ENANTIO EXTPARAM -[41] 6.34 0.05 0.05 +[41] 6.33 0.05 0.05 [41] 0.00 0.00 0.00 [41] 0.07 0.00 0.00 @@ -10353,65 +10274,65 @@ All cycle Rw 0.0 19. 0.10E+03 TYPE SERIAL OCC FLAG X Y Z U[11] U[22] U[33] U[23] U[13] U[12] U[ISO] SIZE DECL/100 AZIM/100 -[37] C 1. 0.43 1.00 -0.14 -0.10 -0.30 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 1. 0.48 1.00 -0.13 -0.10 -0.30 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.044 +[31] 0.044 0.035 0.043 -[37] C 2. 0.43 1.00 -0.12 -0.20 -0.19 0.05 -[73] -0.00 0.00 0.00 0.00 -0.00 +[37] C 2. 0.48 1.00 -0.11 -0.20 -0.19 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.047 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 3. 0.43 1.00 -0.18 -0.19 -0.10 0.05 -[73] -0.00 -0.00 0.00 -0.00 -0.00 +[37] C 3. 0.48 1.00 -0.17 -0.18 -0.10 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.046 0.036 0.045 +[31] 0.045 0.036 0.044 -[37] C 4. 0.43 1.00 -0.25 -0.06 -0.17 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.045 +[31] 0.044 0.035 0.043 -[37] C 5. 0.43 1.00 -0.22 -0.02 -0.28 0.05 -[73] -0.00 0.00 -0.00 0.00 -0.00 +[37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.06 +[73] -0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.037 0.044 +[31] 0.044 0.035 0.043 -[37] C 11. 0.41 1.00 -0.10 -0.09 -0.45 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 11. 0.38 1.00 -0.08 -0.06 -0.44 0.09 +[73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.076 0.061 0.075 -[37] C 12. 0.41 1.00 -0.01 -0.33 -0.15 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.072 0.058 0.070 +[31] 0.075 0.061 0.073 -[37] C 13. 0.41 1.00 -0.19 -0.28 0.04 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 13. 0.38 1.00 -0.16 -0.25 0.05 0.09 +[73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.077 0.061 0.075 -[37] C 14. 0.41 1.00 -0.34 -0.01 -0.08 0.10 -[73] 0.00 0.00 0.00 -0.00 0.00 +[37] C 14. 0.38 1.00 -0.32 0.00 -0.07 0.09 +[73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.060 0.076 -[37] C 15. 0.41 1.00 -0.27 0.11 -0.37 0.10 -[73] 0.00 0.00 0.00 0.00 0.00 +[37] C 15. 0.38 1.00 -0.25 0.14 -0.37 0.09 +[73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.072 +[31] 0.077 0.061 0.075 -[37] C 100. 2.83 4.00 -0.17 -0.11 -0.20 0.03 +[37] C 100. 2.56 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 -[37] C 200. 2.93 4.00 -0.17 -0.11 -0.20 0.04 - -0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -[22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.010 0.009 0.008 +[37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 + -0.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 +[22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -10623,7 +10544,6 @@ All cycle Rw 0.0 19. 0.10E+03 CALCULATED APPLIED 0.000 0.000 - -0.001 -0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10641,6 +10561,7 @@ All cycle Rw 0.0 19. 0.10E+03 0.000 0.000 0.000 0.000 0.000 0.000 + 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 @@ -10867,8 +10788,8 @@ LS-scale= 6.302 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.27E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7.27E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 S/ESD 1 1 0.341 0.0E+00 0.151E+00 2.26 SCALE for 35 parameters @@ -10909,12 +10830,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.026 0.041 +[31] 0.034 0.026 0.041 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.057 0.056 0.077 +[31] 0.058 0.057 0.077 [03] Reversals @@ -10959,62 +10880,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.46 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 2. 0.46 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.036 0.044 +[31] 0.046 0.036 0.044 [37] C 3. 0.46 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.044 +[31] 0.045 0.036 0.045 [37] C 4. 0.46 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.044 [37] C 5. 0.46 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.036 0.043 +[31] 0.044 0.036 0.044 [37] C 11. 0.42 1.00 -0.09 -0.07 -0.44 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.069 0.055 0.067 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.067 0.054 0.065 +[31] 0.067 0.054 0.065 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.01 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.066 +[31] 0.068 0.055 0.067 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.01 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.054 0.067 +[31] 0.069 0.054 0.068 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.01 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.068 0.053 0.067 +[31] 0.069 0.054 0.067 [37] C 100. 2.67 4.00 -0.17 -0.11 -0.20 0.03 -0.0111 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.18 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.09 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11103,8 +11024,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.89E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.89E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11181,15 +11102,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.005 0.007 +[31] 0.010 0.005 0.007 [70] Maximum 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.010 0.013 +[31] 0.020 0.010 0.013 [03] Reversals @@ -11234,62 +11155,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.01 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.01 0.00 0.00 -0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] -0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.069 +[31] 0.071 0.057 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 -0.0649 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11378,8 +11299,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.80E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.80E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -11420,15 +11341,15 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [38] Mean 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.006 +[31] 0.005 0.004 0.006 [03] Reversals @@ -11473,62 +11394,62 @@ All cycle Min function 0.0 0.21E+06 0.10E+16 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] -0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] -0.00 -0.00 -0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] -0.00 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.61 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11617,8 +11538,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.77E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 Composite Composite @@ -11675,15 +11596,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [03] Reversals @@ -11728,62 +11649,62 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 0.47 1.00 -0.13 -0.10 -0.30 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.042 [37] C 2. 0.47 1.00 -0.12 -0.20 -0.19 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 3. 0.47 1.00 -0.18 -0.19 -0.10 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 4. 0.47 1.00 -0.25 -0.06 -0.16 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.47 1.00 -0.22 -0.01 -0.28 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.42 1.00 -0.09 -0.08 -0.44 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.057 0.069 [37] C 12. 0.42 1.00 -0.01 -0.32 -0.15 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.069 0.056 0.067 [37] C 13. 0.42 1.00 -0.18 -0.27 0.04 0.10 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.070 0.056 0.068 +[31] 0.071 0.056 0.069 [37] C 14. 0.42 1.00 -0.33 0.00 -0.07 0.10 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.056 0.070 [37] C 15. 0.42 1.00 -0.26 0.13 -0.37 0.10 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.071 0.055 0.069 +[31] 0.071 0.055 0.069 [37] C 100. 2.60 4.00 -0.17 -0.11 -0.20 0.03 -0.0055 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 2.87 4.00 -0.17 -0.11 -0.21 0.04 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.12 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -11893,8 +11814,8 @@ LS-scale= 5.752 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 5.86E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 5E+03 rel. error: 6E-04 [13] LARGE 1 1 7.0 0.0E+00 0.2 E+00 32.0 SCALE [14] S/ESD 2 2 0.521 0.0E+00 0.51 E-01 10.2 C 1 OCC Composite @@ -12056,15 +11977,15 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [38] Mean 7.06 0.28 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.036 0.031 0.028 +[31] 0.036 0.031 0.029 [71] R.M.S. 7. 0.36 0.04 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.122 0.114 0.168 +[31] 0.122 0.115 0.169 [70] Maximum 7. 0.52 0.06 0.02 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.235 0.286 0.319 +[31] 0.236 0.286 0.320 [03] Reversals @@ -12109,62 +12030,62 @@ All cycle Min function 0.0 0.46E+06 0.10E+16 [37] C 1. 0.94 1.00 -0.13 -0.09 -0.29 0.11 [73] 0.52 -0.00 0.00 0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.062 0.075 [37] C 2. 0.94 1.00 -0.10 -0.20 -0.18 0.11 [73] 0.52 0.02 0.00 0.00 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.078 0.060 0.075 +[31] 0.078 0.061 0.076 [37] C 3. 0.94 1.00 -0.18 -0.19 -0.09 0.11 [73] 0.52 0.00 -0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.077 +[31] 0.078 0.061 0.077 [37] C 4. 0.94 1.00 -0.25 -0.05 -0.16 0.11 [73] 0.52 0.00 0.01 0.02 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.076 +[31] 0.076 0.062 0.076 [37] C 5. 0.94 1.00 -0.22 0.00 -0.28 0.11 [73] 0.52 -0.00 -0.00 -0.01 0.06 [73] 0.05 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.062 0.075 [37] C 11. 0.56 1.00 -0.09 -0.06 -0.46 0.12 [73] 0.04 0.00 0.00 -0.03 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.137 0.109 0.132 +[31] 0.137 0.110 0.132 [37] C 12. 0.56 1.00 -0.01 -0.30 -0.15 0.12 [73] 0.04 -0.01 0.03 -0.01 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.108 0.128 +[31] 0.134 0.108 0.128 [37] C 13. 0.56 1.00 -0.19 -0.25 0.04 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.134 0.108 0.131 +[31] 0.135 0.108 0.131 [37] C 14. 0.56 1.00 -0.33 0.00 -0.08 0.12 [73] 0.04 0.00 0.00 0.00 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.136 0.106 0.132 +[31] 0.137 0.106 0.132 [37] C 15. 0.56 1.00 -0.25 0.13 -0.35 0.12 [73] 0.04 0.01 -0.00 0.02 -0.01 [73] 0.04 0.01 0.01 0.01 0.00 -[31] 0.133 0.105 0.130 +[31] 0.134 0.105 0.130 [37] C 100. 0.25 4.00 -0.15 -0.09 -0.18 0.05 -2.6050 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.25 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [37] C 200. 2.18 4.00 -0.15 -0.09 -0.19 0.06 -0.2304 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 -0.0166 [22] 0.23 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 0.0023 -[31] 0.025 0.021 0.019 +[31] 0.025 0.021 0.020 [84] Mean C-C su = 0.08 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12253,8 +12174,8 @@ LS-scale= 6.336 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.72E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.72E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.153 -0.3E+00 0.47 E-01 -3.2 C 1 OCC Composite @@ -12434,15 +12355,15 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [38] Mean -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.016 0.015 +[31] 0.020 0.016 0.016 [71] R.M.S. 0. 0.13 0.03 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.074 0.082 0.132 +[31] 0.075 0.083 0.132 [70] Maximum 0. 0.15 0.04 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.171 0.169 0.317 +[31] 0.171 0.169 0.317 [03] Reversals @@ -12487,62 +12408,62 @@ Inter cycle Rw -5.0 7.1 0.10E+03 [37] C 1. 0.79 1.00 -0.13 -0.09 -0.31 0.06 [73] -0.15 -0.00 0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.042 0.033 0.040 +[31] 0.043 0.034 0.040 [37] C 2. 0.79 1.00 -0.11 -0.21 -0.19 0.06 [73] -0.15 -0.00 -0.00 -0.01 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.033 0.042 +[31] 0.043 0.033 0.042 [37] C 3. 0.79 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.15 0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.041 +[31] 0.043 0.034 0.041 [37] C 4. 0.79 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.15 -0.00 -0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.041 +[31] 0.041 0.033 0.041 [37] C 5. 0.79 1.00 -0.22 0.00 -0.28 0.06 [73] -0.15 -0.00 0.00 -0.00 -0.04 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.041 0.033 0.040 +[31] 0.042 0.034 0.041 [37] C 11. 0.45 1.00 -0.08 -0.06 -0.43 0.11 [73] -0.10 0.00 0.00 0.03 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.054 0.066 +[31] 0.069 0.054 0.067 [37] C 12. 0.45 1.00 0.00 -0.31 -0.14 0.11 [73] -0.10 0.01 -0.01 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.068 0.056 0.067 +[31] 0.069 0.057 0.067 [37] C 13. 0.45 1.00 -0.18 -0.25 0.05 0.11 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.069 0.055 0.067 +[31] 0.070 0.056 0.068 [37] C 14. 0.45 1.00 -0.33 0.00 -0.07 0.11 [73] -0.10 0.00 0.00 0.01 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.068 +[31] 0.070 0.054 0.068 [37] C 15. 0.45 1.00 -0.25 0.15 -0.36 0.11 [73] -0.10 -0.00 0.01 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.070 0.054 0.067 +[31] 0.070 0.054 0.068 [37] C 100. 1.02 4.00 -0.16 -0.10 -0.19 0.04 [22] 0.76 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.23 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [37] C 200. 2.72 4.00 -0.16 -0.10 -0.19 0.05 [22] 0.54 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 -0.0092 [22] 0.15 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 0.0026 -[31] 0.028 0.024 0.022 +[31] 0.028 0.024 0.022 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12631,8 +12552,8 @@ LS-scale= 6.331 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.79E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.79E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.173 0.1E+01 0.41 E-01 -4.1 C 1 OCC Composite @@ -12790,15 +12711,15 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [38] Mean -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.025 0.024 +[31] 0.030 0.026 0.025 [71] R.M.S. 0. 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.055 0.053 0.051 +[31] 0.056 0.053 0.052 [70] Maximum 0. 0.17 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.130 0.084 +[31] 0.119 0.130 0.084 [03] Reversals @@ -12843,62 +12764,62 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 0.62 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.17 -0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 2. 0.62 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.17 -0.00 0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.032 0.024 0.031 +[31] 0.032 0.024 0.031 [37] C 3. 0.62 1.00 -0.18 -0.19 -0.10 0.06 [73] -0.17 -0.00 -0.00 -0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.031 0.024 0.031 +[31] 0.032 0.025 0.031 [37] C 4. 0.62 1.00 -0.25 -0.05 -0.17 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.031 [37] C 5. 0.62 1.00 -0.22 0.00 -0.28 0.06 [73] -0.17 0.00 -0.00 0.00 -0.00 [73] 0.04 0.00 0.00 0.00 0.00 -[31] 0.030 0.024 0.030 +[31] 0.031 0.025 0.030 [37] C 11. 0.39 1.00 -0.08 -0.06 -0.44 0.09 [73] -0.06 -0.00 -0.00 -0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.059 0.072 +[31] 0.074 0.059 0.072 [37] C 12. 0.39 1.00 0.00 -0.30 -0.13 0.09 [73] -0.06 0.00 0.01 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.059 0.071 [37] C 13. 0.39 1.00 -0.17 -0.24 0.05 0.09 [73] -0.06 0.01 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.39 1.00 -0.32 0.01 -0.06 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.058 0.073 +[31] 0.075 0.059 0.074 [37] C 15. 0.39 1.00 -0.25 0.15 -0.35 0.09 [73] -0.06 0.00 0.00 0.00 -0.01 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.058 0.073 +[31] 0.074 0.059 0.073 [37] C 100. 1.88 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.86 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.20 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [37] C 200. 3.04 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.31 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 -0.0140 [22] 0.13 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 0.0019 -[31] 0.020 0.017 0.016 +[31] 0.021 0.018 0.016 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -12987,8 +12908,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.67E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 1.67E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 1E+03 rel. error: 2E-04 [14] S/ESD 2 2 -0.104 0.6E+00 0.34 E-01 -2.9 C 1 OCC Composite @@ -13053,12 +12974,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.040 0.037 0.027 +[31] 0.040 0.037 0.027 [70] Maximum 0. 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.075 0.080 0.047 +[31] 0.075 0.080 0.048 [03] Reversals @@ -13103,62 +13024,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.51 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.038 0.030 0.037 [37] C 2. 0.51 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 3. 0.51 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.038 0.030 0.037 +[31] 0.038 0.030 0.037 [37] C 4. 0.51 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.037 +[31] 0.037 0.030 0.037 [37] C 5. 0.51 1.00 -0.22 0.00 -0.28 0.06 [73] -0.10 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.037 0.030 0.036 +[31] 0.037 0.030 0.037 [37] C 11. 0.36 1.00 -0.09 -0.06 -0.44 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.073 +[31] 0.075 0.060 0.073 [37] C 12. 0.36 1.00 0.00 -0.31 -0.14 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.073 0.059 0.071 +[31] 0.073 0.060 0.072 [37] C 13. 0.36 1.00 -0.17 -0.24 0.05 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.076 0.060 0.074 [37] C 14. 0.36 1.00 -0.32 0.01 -0.06 0.09 [73] -0.02 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.059 0.074 [37] C 15. 0.36 1.00 -0.25 0.15 -0.36 0.09 [73] -0.02 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.059 0.074 +[31] 0.075 0.060 0.074 [37] C 100. 2.40 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.52 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.17 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [37] C 200. 3.15 4.00 -0.18 -0.11 -0.21 0.04 [22] 0.11 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 -0.0003 [22] 0.11 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 -[31] 0.013 0.011 0.010 +[31] 0.014 0.012 0.011 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13248,8 +13169,8 @@ LS-scale= 6.330 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.95E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.95E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13289,12 +13210,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.016 0.010 +[31] 0.014 0.016 0.011 [70] Maximum 0. 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.037 0.026 +[31] 0.033 0.037 0.026 [03] Reversals @@ -13339,62 +13260,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.49 1.00 -0.13 -0.10 -0.30 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.042 [37] C 2. 0.49 1.00 -0.11 -0.20 -0.19 0.06 [73] -0.02 -0.00 0.00 -0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.044 0.035 0.043 [37] C 3. 0.49 1.00 -0.17 -0.18 -0.09 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.49 1.00 -0.25 -0.05 -0.16 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 5. 0.49 1.00 -0.22 0.00 -0.28 0.06 [73] -0.02 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.37 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.064 0.078 [37] C 12. 0.37 1.00 0.00 -0.30 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.063 0.076 [37] C 13. 0.37 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.077 +[31] 0.080 0.063 0.078 [37] C 14. 0.37 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.062 0.078 +[31] 0.080 0.063 0.078 [37] C 15. 0.37 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.079 0.063 0.078 +[31] 0.080 0.063 0.078 [37] C 100. 2.52 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.10 4.00 -0.18 -0.11 -0.21 0.04 -0.0468 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 0.0011 -[31] 0.011 0.010 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13483,8 +13404,8 @@ LS-scale= 6.329 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.86E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.86E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 Composite Composite @@ -13600,12 +13521,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.006 +[31] 0.007 0.008 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.019 0.017 +[31] 0.018 0.020 0.018 [03] Reversals @@ -13650,62 +13571,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.043 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.062 0.075 +[31] 0.078 0.062 0.076 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.074 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.078 0.061 0.075 +[31] 0.078 0.062 0.076 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.15 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.076 +[31] 0.078 0.061 0.076 [37] C 100. 2.55 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.03 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [37] C 200. 3.08 4.00 -0.18 -0.11 -0.21 0.04 -0.0202 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 -0.0001 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -13794,8 +13715,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.81E-04 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 1.81E-04 +[80a] Block No 1. Single precision relative error: 2E-04 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 2E+03 rel. error: 2E-04 for 35 parameters [64] The rms (shift/su) = 0. @@ -13839,12 +13760,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.001 +[31] 0.003 0.005 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.008 0.003 +[31] 0.007 0.009 0.004 [03] Reversals @@ -13889,62 +13810,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 -0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.035 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.042 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.077 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.075 0.060 0.073 +[31] 0.075 0.061 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.077 0.061 0.075 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.076 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.061 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.01 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0093 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14033,8 +13954,8 @@ LS-scale= 6.328 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.59E-05 -[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 6.59E-05 +[80a] Block No 1. Single precision relative error: 7E-05 +[80] (sp inverse) 1-norm: 2E+01 cond. number: 6E+02 rel. error: 7E-05 for 35 parameters [64] The rms (shift/su) = 0. @@ -14078,12 +13999,12 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.005 0.007 0.004 [03] Reversals @@ -14128,62 +14049,62 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 [37] C 1. 0.48 1.00 -0.13 -0.09 -0.30 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.042 +[31] 0.044 0.035 0.043 [37] C 2. 0.48 1.00 -0.11 -0.19 -0.19 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.044 0.035 0.043 +[31] 0.045 0.036 0.044 [37] C 3. 0.48 1.00 -0.17 -0.18 -0.09 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.045 0.035 0.043 +[31] 0.045 0.036 0.043 [37] C 4. 0.48 1.00 -0.25 -0.05 -0.16 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 5. 0.48 1.00 -0.21 0.00 -0.28 0.05 [73] -0.00 0.00 0.00 0.00 -0.00 [73] 0.03 0.00 0.00 0.00 0.00 -[31] 0.043 0.034 0.043 +[31] 0.044 0.035 0.043 [37] C 11. 0.38 1.00 -0.09 -0.06 -0.44 0.09 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.061 0.074 +[31] 0.076 0.061 0.075 [37] C 12. 0.38 1.00 0.00 -0.31 -0.14 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.074 0.060 0.072 +[31] 0.075 0.060 0.073 [37] C 13. 0.38 1.00 -0.17 -0.24 0.05 0.09 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.074 +[31] 0.077 0.061 0.075 [37] C 14. 0.38 1.00 -0.32 0.01 -0.06 0.09 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 15. 0.38 1.00 -0.25 0.14 -0.36 0.09 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.02 0.00 0.00 0.00 0.00 -[31] 0.076 0.060 0.075 +[31] 0.077 0.060 0.075 [37] C 100. 2.57 4.00 -0.17 -0.11 -0.20 0.03 [22] 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.17 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [37] C 200. 3.07 4.00 -0.18 -0.11 -0.21 0.04 -0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 [22] 0.11 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 0.0010 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.009 [84] Mean C-C su = 0.04 The following atoms should be carefully examined [24] F 1. 0.072 0.112 0.448 0.211 0.153 0.693 Might be split @@ -14385,7 +14306,7 @@ All cycle Min function 0.0 0.22E+06 0.10E+16 THIS IS THE DEFAULT SETTING FOR THE TITLE, PROVIDED WHEN NO USER TITLE IS GIVEN. Date Time - Print list type 24 serial number 54 Address 448446 Length 90 Created on + Print list type 24 serial number 54 Address 451290 Length 90 Created on diff --git a/test_suite/MIN64GHGUI.org/slant.out b/test_suite/MIN64GHGUI.org/slant.out index ab1751e3e..357c684d7 100644 --- a/test_suite/MIN64GHGUI.org/slant.out +++ b/test_suite/MIN64GHGUI.org/slant.out @@ -595,9 +595,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 8.70 -0.12 0.0 0.02 -0.00 0.00 0.00 -0.00 0.00 -[35] -0.12 6.28 0.0 -0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 8.71 -0.12 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 +[35] -0.12 6.28 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -622,9 +622,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 -0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 @@ -643,9 +643,9 @@ AZIMUTH = 45.02 AZIMUTH /100 = 0.4502 L T S -[35] 6.27 0.00 0.0 0.01 -0.00 0.00 0.00 0.00 0.00 -[35] 0.00 8.71 0.0 -0.00 0.02 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 44.1 0.00 0.00 0.01 0.00 0.00 0.00 +[35] 6.28 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 +[35] 0.00 8.71 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 44.10 0.00 0.00 0.01 0.00 0.00 0.00 diff --git a/test_suite/MIN64GHGUI.org/sphere.out b/test_suite/MIN64GHGUI.org/sphere.out index 69c81e5f9..182fd3ac0 100644 --- a/test_suite/MIN64GHGUI.org/sphere.out +++ b/test_suite/MIN64GHGUI.org/sphere.out @@ -398,8 +398,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -436,15 +436,15 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -489,22 +489,22 @@ All cycle Min function 0.0 0.21E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -586,8 +586,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -624,15 +624,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -677,22 +677,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -801,8 +801,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.014 0.0E+00 0.593E-02 -2.30 SCALE Composite @@ -850,12 +850,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.057 0.104 +[31] 0.056 0.057 0.104 [03] Reversals @@ -900,22 +900,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -973,8 +973,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.012 -0.1E+01 0.28 E-02 -4.3 O 1 U[33] for 16 parameters @@ -1019,12 +1019,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.024 +[31] 0.015 0.009 0.024 [03] Reversals @@ -1069,22 +1069,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1166,8 +1166,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1211,12 +1211,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -1261,22 +1261,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1358,8 +1358,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1396,15 +1396,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1449,22 +1449,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -1547,8 +1547,8 @@ LS-scale= 0.479 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -1585,15 +1585,15 @@ All cycle Rw 0.0 4.1 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,22 +1638,22 @@ All cycle Rw 0.0 4.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -2134,8 +2134,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2172,15 +2172,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.001 0.005 [03] Reversals @@ -2225,22 +2225,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2322,8 +2322,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2360,15 +2360,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2413,22 +2413,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -2537,8 +2537,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.23E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.23E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 S/ESD 1 1 -0.016 0.0E+00 0.613E-02 -2.66 SCALE Composite @@ -2586,12 +2586,12 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.054 0.055 0.108 +[31] 0.054 0.056 0.108 [03] Reversals @@ -2636,22 +2636,22 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2711,8 +2711,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.02E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 [14] S/ESD 11 11 -0.013 -0.1E+01 0.31 E-02 -4.1 O 1 U[33] for 16 parameters @@ -2757,12 +2757,12 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [89] -0.01 0.00 0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.009 0.025 +[31] 0.016 0.010 0.025 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.015 0.009 0.025 +[31] 0.016 0.010 0.025 [03] Reversals @@ -2807,22 +2807,22 @@ Inter cycle Rw -5.0 6.9 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.01 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2904,8 +2904,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.11E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.11E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -2949,12 +2949,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.003 0.001 0.006 [03] Reversals @@ -2999,22 +2999,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3096,8 +3096,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.05E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.05E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3141,12 +3141,12 @@ All cycle Min function 0.0 0.26E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3191,22 +3191,22 @@ All cycle Min function 0.0 0.26E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3289,8 +3289,8 @@ LS-scale= 0.477 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.04E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.04E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3327,15 +3327,15 @@ All cycle Rw 0.0 4.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -3380,22 +3380,22 @@ All cycle Rw 0.0 4.6 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -3876,8 +3876,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -3914,15 +3914,15 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.002 0.001 0.000 [03] Reversals @@ -3967,22 +3967,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4064,8 +4064,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4102,15 +4102,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4155,22 +4155,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -4279,8 +4279,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.79E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.014 0.0E+00 0.591E-02 -2.38 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.2 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.44 E-02 2.5 O 1 U[33] @@ -4324,12 +4324,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] -0.05 -0.05 0.09 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.055 0.055 0.098 +[31] 0.056 0.055 0.098 [03] Reversals @@ -4374,22 +4374,22 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.010 +[31] 0.013 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.07 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4447,8 +4447,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -4497,12 +4497,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 0.00 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.030 +[31] 0.014 0.010 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.014 0.009 0.030 +[31] 0.014 0.010 0.030 [03] Reversals @@ -4547,22 +4547,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.005 +[31] 0.006 0.006 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4635,8 +4635,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.01E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4680,12 +4680,12 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.005 +[31] 0.004 0.002 0.005 [03] Reversals @@ -4730,22 +4730,22 @@ Inter cycle Rw -5.0 2.0 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4827,8 +4827,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -4872,12 +4872,12 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4922,22 +4922,22 @@ All cycle Min function 0.0 0.22E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -5020,8 +5020,8 @@ LS-scale= 0.478 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.94E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.94E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5058,15 +5058,15 @@ All cycle Rw 0.0 8.4 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5111,22 +5111,22 @@ All cycle Rw 0.0 8.4 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 @@ -5607,8 +5607,8 @@ LS-scale= 0.480 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 Composite Composite @@ -5649,15 +5649,15 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.002 0.005 [03] Reversals @@ -5702,22 +5702,22 @@ All cycle Min function 0.0 0.30E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.01 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5799,8 +5799,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -5844,12 +5844,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5894,22 +5894,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5991,8 +5991,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6029,15 +6029,15 @@ All cycle Rw 0.0 9.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6082,22 +6082,22 @@ All cycle Rw 0.0 9.3 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS # PRE-PERTURBED STRUCTURE - KEEPS TESTS CONSISTENT BY REMOVING DEPENDENCY ON PLA @@ -6206,8 +6206,8 @@ LS-scale= 0.493 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3.78E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 4E-06 S/ESD 1 1 -0.017 0.0E+00 0.612E-02 -2.74 SCALE [14] S/ESD 8 8 0.011 0.0E+00 0.12 E-02 9.0 O 1 Z [14] S/ESD 11 11 0.011 0.0E+00 0.46 E-02 2.5 O 1 U[33] @@ -6251,12 +6251,12 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [89] -0.05 -0.05 0.10 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.052 0.051 0.100 +[31] 0.053 0.052 0.101 [03] Reversals @@ -6301,22 +6301,22 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.02 [37] 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.014 0.013 0.011 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.01 -0.13 [72] 0.00 0.00 0.00 0.00 0.04 0.08 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6376,8 +6376,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 Composite Composite @@ -6426,12 +6426,12 @@ Inter cycle Rw -5.0 15. 0.10E+03 [89] -0.01 -0.01 0.03 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.011 0.033 +[31] 0.016 0.012 0.034 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -[31] 0.016 0.011 0.033 +[31] 0.016 0.012 0.034 [03] Reversals @@ -6476,22 +6476,22 @@ Inter cycle Rw -5.0 15. 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.04 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.02 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6566,8 +6566,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.99E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 2.99E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 3E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6611,12 +6611,12 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.005 +[31] 0.004 0.002 0.006 [03] Reversals @@ -6661,22 +6661,22 @@ Inter cycle Rw -5.0 2.1 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6754,8 +6754,8 @@ LS-scale= 0.476 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6796,15 +6796,15 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6849,22 +6849,22 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 -0.00 -0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -6947,8 +6947,8 @@ LS-scale= 0.475 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.92E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.92E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 16 parameters [64] The rms (shift/su) = 0. @@ -6985,15 +6985,15 @@ All cycle Rw 0.0 9.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7038,22 +7038,22 @@ All cycle Rw 0.0 9.3 0.10E+03 [37] GA 1. 1.00 0.00 0.75 0.50 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] P 1. 1.00 0.00 0.50 0.25 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 1. 1.00 0.00 0.62 0.34 -0.06 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 1. 5.00 2.00 0.50 0.50 0.50 0.05 [72] 0.00 0.00 0.00 0.00 0.00 0.00 [72] 0.00 0.00 0.00 0.00 0.01 0.02 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PRINT 22 diff --git a/test_suite/MIN64GHGUI.org/td-part.out b/test_suite/MIN64GHGUI.org/td-part.out index 39a1de31c..5d6e9f348 100644 --- a/test_suite/MIN64GHGUI.org/td-part.out +++ b/test_suite/MIN64GHGUI.org/td-part.out @@ -195,8 +195,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -235,15 +235,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -377,8 +377,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -420,15 +420,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -562,8 +562,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -600,15 +600,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18908,8 +18908,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 [44] Resetting shift for Enantio Shift= 0.4 Esd= 0.0 New shift= 0.43 [13] LARGE 1 1 0.4 0.0E+00 0.2 E-01 16.4 ENANTIO @@ -18948,15 +18948,15 @@ All cycle Min function 0.0 0.58E+06 0.10E+16 [38] Mean 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19090,8 +19090,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 S/ESD 1 1 0.041 0.1E+00 0.270E-01 1.50 ENANTIO for 1 parameters @@ -19133,15 +19133,15 @@ All cycle Min function 0.0 0.52E+06 0.10E+16 [38] Mean 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19275,8 +19275,8 @@ LS-scale= 6.285 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.19E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.19E-07 +[80a] Block No 1. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 for 1 parameters [64] The rms (shift/su) = 0. @@ -19313,15 +19313,15 @@ All cycle Rw 0.0 17. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals diff --git a/test_suite/MIN64GHGUI.org/td-tors.out b/test_suite/MIN64GHGUI.org/td-tors.out index df804f8d9..68a3a3d0e 100644 --- a/test_suite/MIN64GHGUI.org/td-tors.out +++ b/test_suite/MIN64GHGUI.org/td-tors.out @@ -339,8 +339,8 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.65E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 1.65E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 1E+01 rel. error: 2E-06 for 6 parameters [64] The rms (shift/su) = 0. @@ -380,12 +380,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.000 +[31] 0.007 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.001 0.000 +[31] 0.013 0.001 0.001 [03] Reversals @@ -430,22 +430,22 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.005 0.002 +[31] 0.004 0.006 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #TORS @@ -464,18 +464,18 @@ O 8 1 1 0 0 0 0.3999 0.0622 0.3236 Variance-covariance matrix of selected atoms (x10^6) -[35] 14.20 -10.62 -3.1 6.24 -1.65 1.35 0.84 1.50 0.48 -[35] -10.62 33.13 3.7 -1.53 9.25 0.64 -1.43 -0.60 -4.49 -[35] -3.11 3.70 7.8 1.18 0.58 5.17 4.90 -0.37 6.40 -[35] 6.24 -1.53 1.1 5.02 -0.25 1.89 4.12 0.21 1.71 -[35] -1.65 9.25 0.5 -0.25 5.50 0.12 -0.18 3.79 -0.73 -[35] 1.35 0.64 5.1 1.89 0.12 4.85 2.32 -0.09 4.94 -[35] 0.84 -1.43 4.9 4.12 -0.18 2.32 9.92 -1.65 4.26 -[35] 1.50 -0.60 -0.3 0.21 3.79 -0.09 -1.65 9.75 2.16 -[35] 0.48 -4.49 6.4 1.71 -0.73 4.94 4.26 2.16 7.66 -[35] 5.43 5.48 0.8 4.96 0.76 1.87 0.88 1.07 0.13 -[35] 2.28 0.22 -0.9 0.27 4.25 -0.06 2.28 1.27 -0.68 -[35] 5.83 3.28 1.7 2.63 0.61 4.51 -1.70 -2.11 1.04 +[35] 14.20 -10.62 -3.11 6.25 -1.66 1.35 0.84 1.50 0.48 +[35] -10.62 33.14 3.71 -1.54 9.26 0.64 -1.43 -0.60 -4.50 +[35] -3.11 3.71 7.85 1.19 0.59 5.17 4.90 -0.37 6.41 +[35] 6.25 -1.54 1.19 5.02 -0.26 1.89 4.12 0.21 1.72 +[35] -1.66 9.26 0.59 -0.26 5.51 0.13 -0.19 3.80 -0.74 +[35] 1.35 0.64 5.17 1.89 0.13 4.86 2.32 -0.09 4.94 +[35] 0.84 -1.43 4.90 4.12 -0.19 2.32 9.92 -1.65 4.27 +[35] 1.50 -0.60 -0.37 0.21 3.80 -0.09 -1.65 9.75 2.16 +[35] 0.48 -4.50 6.41 1.72 -0.74 4.94 4.27 2.16 7.67 +[35] 5.43 5.48 0.83 4.96 0.76 1.88 0.89 1.08 0.13 +[35] 2.28 0.23 -0.92 0.28 4.25 -0.06 2.29 1.27 -0.69 +[35] 5.84 3.29 1.78 2.63 0.62 4.52 -1.71 -2.11 1.05 @@ -572,11 +572,11 @@ LS-scale= 1.023 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.58E-06 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 2.58E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 2E+01 rel. error: 3E-06 Inversion method: Automatic -Block No 2. Single precision relative error: 3.90E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.90E-07 +[80a] Block No 2. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 52 parameters [64] The rms (shift/su) = 0. @@ -616,12 +616,12 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [03] Reversals @@ -666,52 +666,52 @@ All cycle Min function 0.0 0.18E+04 0.10E+16 [37] CU 1. 1.00 0.00 0.44 -0.08 0.54 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [37] O 2. 1.00 0.00 0.40 0.12 0.57 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.43 0.25 0.55 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] O 4. 1.00 0.00 0.49 0.26 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.39 0.39 0.58 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] O 6. 1.00 0.00 0.31 -0.08 0.39 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.31 -0.01 0.31 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] O 8. 1.00 0.00 0.39 0.06 0.32 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.21 -0.03 0.20 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.006 0.007 0.006 [37] O 10. 1.00 0.00 0.37 -0.20 0.63 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.000 0.000 +[31] 0.004 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #USE TORSION.DAT @@ -748,18 +748,18 @@ O 10 1 1 0 1 0 0.3764 0.7910 0.6334 Variance-covariance matrix of selected atoms (x10^6) -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 0.00 0.00 0.0 0.38 -0.00 0.17 0.38 -0.00 0.17 -[35] 0.00 0.00 0.0 -0.00 0.35 -0.00 -0.00 0.35 -0.00 -[35] 0.00 0.00 0.0 0.17 -0.00 0.39 0.17 -0.00 0.39 -[35] 13.53 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 0.0 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 0.01 0.00 0.00 0.39 -0.00 0.17 0.39 -0.00 0.17 +[35] 0.01 0.00 0.00 -0.00 0.35 -0.00 -0.00 0.35 -0.00 +[35] 0.00 0.00 0.00 0.17 -0.00 0.40 0.17 -0.00 0.40 +[35] 13.53 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 +[35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 diff --git a/test_suite/MIN64GHGUI.org/td_rest.out b/test_suite/MIN64GHGUI.org/td_rest.out index 9b4436709..d6582f9c5 100644 --- a/test_suite/MIN64GHGUI.org/td_rest.out +++ b/test_suite/MIN64GHGUI.org/td_rest.out @@ -500,8 +500,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -539,15 +539,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -592,12 +592,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -814,8 +814,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.71E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 7.71E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 6E+01 rel. error: 8E-06 [14] S/ESD 7 7 -0.019 0.0E+00 0.46 E-02 -4.2 C 7 U[11] for 12 parameters @@ -853,15 +853,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -906,12 +906,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1062,8 +1062,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1100,15 +1100,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1153,12 +1153,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1298,8 +1298,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.05E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.05E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2E-05 for 12 parameters [64] The rms (shift/su) = 0. @@ -1336,15 +1336,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1389,12 +1389,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1545,8 +1545,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.52E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.52E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 7 7 -0.025 0.0E+00 0.13 E-02 -18.8 C 7 U[11] [14] S/ESD 12 12 -0.011 0.0E+00 0.13 E-02 -8.3 C 7 U[12] @@ -1585,15 +1585,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1638,12 +1638,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.06 [37] 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -1798,8 +1798,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.85E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 [14] S/ESD 1 1 0.023 0.0E+00 0.12 E-02 18.1 O 6 U[11] [14] S/ESD 6 6 0.010 0.0E+00 0.12 E-02 8.0 O 6 U[12] @@ -1838,15 +1838,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1891,12 +1891,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.08 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2047,8 +2047,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.36E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9.36E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 8E+01 rel. error: 9E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2085,15 +2085,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2138,12 +2138,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2283,8 +2283,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.93E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.93E-06 +[80a] Block No 1. Single precision relative error: 3E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 3E-06 for 12 parameters [64] The rms (shift/su) = 0. @@ -2321,15 +2321,15 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2374,12 +2374,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] O 6. 1.00 0.00 0.22 0.25 0.34 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.35 0.16 0.40 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK HI @@ -2532,10 +2532,10 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.56E-03 +[80a] Block No 1. Single precision relative error: 4E-03 Insufficient precision - trying double -Block No 1. Double precision relative error: 6.64E-12 -[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 6.64E-12 +[80a] Block No 1. Double precision relative error: 7E-12 +[80] (dp inverse) 1-norm: 6E+00 cond. number: 3E+04 rel. error: 7E-12 for 6 parameters [64] The rms (shift/su) = 0. @@ -2575,12 +2575,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.021 +[31] 0.011 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.018 0.027 +[31] 0.014 0.018 0.027 [03] Reversals @@ -2625,12 +2625,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.105 0.091 0.079 +[31] 0.105 0.091 0.080 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.124 0.108 0.081 +[31] 0.124 0.109 0.081 [84] Mean C-C su = 0.09 #CYCLENDS #CHECK HI @@ -2755,8 +2755,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.44E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6.44E-04 +[80a] Block No 1. Single precision relative error: 6E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 5E+03 rel. error: 6E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2796,12 +2796,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [89] 0.00 -0.01 -0.02 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.016 0.030 +[31] 0.011 0.017 0.030 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.023 0.041 +[31] 0.015 0.023 0.042 [03] Reversals @@ -2846,12 +2846,12 @@ All cycle Min function 0.0 0.54E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.108 0.092 0.097 +[31] 0.108 0.093 0.097 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.119 0.106 0.047 +[31] 0.119 0.107 0.048 [84] Mean C-C su = 0.09 #CYCLENDS #SFLS @@ -2934,8 +2934,8 @@ LS-scale= 1.612 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.77E-04 -[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 6.77E-04 +[80a] Block No 1. Single precision relative error: 7E-04 +[80] (sp inverse) 1-norm: 3E+00 cond. number: 6E+03 rel. error: 7E-04 for 6 parameters [64] The rms (shift/su) = 0. @@ -2975,12 +2975,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.001 0.006 +[31] 0.004 0.002 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.002 0.008 +[31] 0.006 0.002 0.009 [03] Reversals @@ -3025,12 +3025,12 @@ All cycle Min function 0.0 0.55E+04 0.10E+16 [37] C 2. 1.00 0.00 0.23 0.38 0.16 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.020 0.021 +[31] 0.024 0.021 0.022 [37] C 11. 1.00 0.00 0.13 0.34 0.07 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.024 0.010 +[31] 0.027 0.024 0.011 [84] Mean C-C su = 0.02 #CYCLENDS #CHECK HI diff --git a/test_suite/MIN64GHGUI.org/test-rest.out b/test_suite/MIN64GHGUI.org/test-rest.out index d1e15e798..f21080c71 100644 --- a/test_suite/MIN64GHGUI.org/test-rest.out +++ b/test_suite/MIN64GHGUI.org/test-rest.out @@ -308,8 +308,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.11E-05 -[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2.11E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 10E+00 cond. number: 2E+02 rel. error: 2E-05 for 131 parameters [64] The rms (shift/su) = 1. @@ -349,12 +349,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.006 0.007 +[31] 0.014 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.035 0.016 0.015 +[31] 0.036 0.017 0.016 [03] Reversals @@ -399,102 +399,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.019 +[31] 0.023 0.022 0.019 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.026 0.025 0.025 +[31] 0.027 0.026 0.025 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.025 0.024 0.024 +[31] 0.026 0.025 0.025 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.034 0.033 0.033 +[31] 0.034 0.033 0.034 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.024 0.027 +[31] 0.025 0.025 0.028 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.029 0.031 +[31] 0.033 0.030 0.032 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.032 +[31] 0.036 0.037 0.032 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.036 0.035 0.033 +[31] 0.037 0.035 0.034 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.017 +[31] 0.017 0.023 0.018 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -768,8 +768,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.45E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.45E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 121 parameters [64] The rms (shift/su) = 0. @@ -809,12 +809,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.007 0.006 +[31] 0.014 0.007 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.037 0.016 0.013 +[31] 0.037 0.017 0.013 [03] Reversals @@ -859,102 +859,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.002 0.002 0.002 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.003 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.020 0.017 +[31] 0.021 0.020 0.017 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.023 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.022 0.022 +[31] 0.023 0.022 0.022 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.029 +[31] 0.030 0.030 0.030 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.022 0.024 +[31] 0.022 0.022 0.025 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.029 0.026 0.028 +[31] 0.029 0.026 0.028 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.031 0.032 0.028 +[31] 0.032 0.033 0.029 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.032 0.031 0.030 +[31] 0.033 0.032 0.030 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.020 0.015 +[31] 0.015 0.021 0.016 [84] Mean C-C su = 0.00 #CYCLENDS # @@ -1134,8 +1134,8 @@ LS-scale= 1.598 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.01E-04 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3.01E-04 +[80a] Block No 1. Single precision relative error: 3E-04 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 3E+03 rel. error: 3E-04 [14] S/ESD 98 98 -0.010 0.1E+01 0.10 E-01 -1.0 H 101 X for 121 parameters @@ -1176,12 +1176,12 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.013 0.021 +[31] 0.023 0.013 0.021 [70] Maximum 0. 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.050 0.043 0.081 +[31] 0.050 0.044 0.081 [03] Reversals @@ -1226,102 +1226,102 @@ All cycle Min function 0.0 0.69E+03 0.10E+16 [37] O 1. 1.00 0.00 0.02 0.39 0.81 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 2. 1.00 0.00 0.26 0.38 0.83 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 3. 1.00 0.00 0.45 0.40 0.77 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 4. 1.00 0.00 0.39 0.45 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.26 0.36 0.62 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] O 6. 1.00 0.00 0.27 0.25 0.65 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 7. 1.00 0.00 0.14 0.16 0.59 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.16 0.40 0.56 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 9. 1.00 0.00 0.33 0.58 0.68 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.004 [37] C 10. 1.00 0.00 0.60 0.54 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.004 +[31] 0.003 0.004 0.004 [37] C 11. 1.00 0.00 0.36 0.34 0.92 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] H 71. 1.00 1.00 0.23 0.16 0.54 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.007 0.003 0.013 +[31] 0.008 0.003 0.014 [37] H 91. 1.00 1.00 0.29 0.63 0.73 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.038 0.036 0.037 +[31] 0.038 0.037 0.037 [37] H 92. 1.00 1.00 0.18 0.60 0.63 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.037 0.036 0.035 +[31] 0.037 0.036 0.036 [37] H 101. 1.00 1.00 0.80 0.55 0.68 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.01 0.00 0.00 0.01 -[31] 0.049 0.047 0.048 +[31] 0.050 0.048 0.049 [37] H 102. 1.00 1.00 0.62 0.53 0.58 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.035 0.036 0.039 +[31] 0.036 0.036 0.040 [37] H 113. 1.00 1.00 0.54 0.32 0.92 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.017 0.027 0.036 +[31] 0.017 0.028 0.036 [37] H 112. 1.00 1.00 0.32 0.41 0.96 0.08 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.025 0.030 +[31] 0.031 0.026 0.030 [37] H 111. 1.00 1.00 0.22 0.27 0.93 0.09 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.028 0.025 0.039 +[31] 0.028 0.025 0.040 [37] H 31. 1.00 1.00 0.62 0.39 0.78 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.034 0.034 +[31] 0.035 0.034 0.034 [84] Mean C-C su = 0.00 #CYCLENDS #END diff --git a/test_suite/MIN64GHGUI.org/test1.out b/test_suite/MIN64GHGUI.org/test1.out index e4139c3f3..b8d6c09e5 100644 --- a/test_suite/MIN64GHGUI.org/test1.out +++ b/test_suite/MIN64GHGUI.org/test1.out @@ -469,8 +469,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.84E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -510,12 +510,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -560,57 +560,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -692,8 +692,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -737,12 +737,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -787,57 +787,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -919,8 +919,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.79E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.79E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -957,15 +957,15 @@ All cycle Rw 0.0 19. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1010,57 +1010,57 @@ All cycle Rw 0.0 19. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1155,8 +1155,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.026 0.0E+00 0.143E-01 1.79 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.8 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.1 N 6 U[ISO] @@ -1199,12 +1199,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -1249,57 +1249,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1381,8 +1381,8 @@ LS-scale= 1.483 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1426,12 +1426,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.003 +[31] 0.002 0.002 0.004 [03] Reversals @@ -1476,57 +1476,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1608,8 +1608,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1653,12 +1653,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -1703,57 +1703,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1835,8 +1835,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1877,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -1930,57 +1930,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2077,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.68E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.1 0.0E+00 0.1 E-01 10.6 SCALE [13] LARGE 2 2 655.0 0.0E+00 0.3 E+02 18.1 EXTPARAM [14] S/ESD 15 15 0.025 0.0E+00 0.38 E-02 6.7 O 3 U[11] @@ -2130,15 +2130,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 327.61 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 463. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 655. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2183,57 +2183,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2315,8 +2315,8 @@ LS-scale= 1.664 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.61E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.61E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 S/ESD 1 1 0.069 0.4E+00 0.176E-01 3.94 SCALE [43] Resetting shift for Extinction Shift= 856. Esd= 10 New shift= 131.0 [13] LARGE 2 2 131.0 0.1E+01 0.1 E+03 8.3 EXTPARAM @@ -2361,15 +2361,15 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [38] Mean 65.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 92. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 131. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2414,57 +2414,57 @@ Inter cycle Rw -5.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2958,8 +2958,8 @@ LS-scale= 1.733 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.99E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.99E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.116 0.0E+00 0.119E-01 -9.77 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.41 E-02 -10.9 C 4 U[ISO] @@ -2998,15 +2998,15 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [38] Mean -0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.003 0.000 +[31] 0.001 0.004 0.000 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.010 0.008 +[31] 0.007 0.011 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.023 0.017 +[31] 0.013 0.023 0.018 [03] Reversals @@ -3051,57 +3051,57 @@ All cycle Min function 0.0 0.63E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.008 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3183,8 +3183,8 @@ LS-scale= 1.617 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.11E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3225,15 +3225,15 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.006 0.007 +[31] 0.003 0.006 0.007 [03] Reversals @@ -3278,57 +3278,57 @@ Inter cycle Rw -5.0 3.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3410,8 +3410,8 @@ LS-scale= 1.621 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.09E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3452,15 +3452,15 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -3505,57 +3505,57 @@ All cycle Min function 0.0 0.39E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # NOFSQ, ANOM @@ -3967,8 +3967,8 @@ LS-scale= 1.456 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.83E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4008,12 +4008,12 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [03] Reversals @@ -4058,57 +4058,57 @@ All cycle Min function 0.0 0.98E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.011 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4190,8 +4190,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.78E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.78E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4235,12 +4235,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.004 +[31] 0.003 0.002 0.004 [03] Reversals @@ -4285,57 +4285,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4417,8 +4417,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 3.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 3.80E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 3E+00 rel. error: 4E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -4462,12 +4462,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.002 +[31] 0.001 0.000 0.002 [03] Reversals @@ -4512,57 +4512,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -4657,8 +4657,8 @@ LS-scale= 1.457 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.02E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5.02E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.025 0.0E+00 0.143E-01 1.76 SCALE [14] S/ESD 21 21 0.012 0.0E+00 0.15 E-02 7.7 O 5 U[ISO] [14] S/ESD 25 25 -0.016 0.0E+00 0.23 E-02 -7.0 N 6 U[ISO] @@ -4701,12 +4701,12 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.003 0.007 +[31] 0.007 0.003 0.007 [03] Reversals @@ -4751,57 +4751,57 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.012 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 -0.00 0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.012 0.011 0.010 [37] C 10. 1.00 1.00 0.83 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.011 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -4883,8 +4883,8 @@ LS-scale= 1.482 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -4928,12 +4928,12 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.002 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.005 +[31] 0.002 0.003 0.005 [03] Reversals @@ -4978,57 +4978,57 @@ Inter cycle Rw -5.0 1.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.006 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5110,8 +5110,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5155,12 +5155,12 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -5205,57 +5205,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.011 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -5337,8 +5337,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.04E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.04E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -5379,15 +5379,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.001 [03] Reversals @@ -5432,57 +5432,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -5579,8 +5579,8 @@ LS-scale= 1.488 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 9E+01 rel. error: 1E-05 S/ESD 1 1 0.023 0.0E+00 0.140E-01 1.62 SCALE [13] LARGE 2 2 46.8 0.0E+00 0.9 E+01 4.8 EXTPARAM [14] S/ESD 15 15 0.019 0.0E+00 0.38 E-02 5.0 O 3 U[11] @@ -5633,15 +5633,15 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [38] Mean 23.43 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 33. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 46. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5686,57 +5686,57 @@ All cycle Min function 0.0 0.86E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5818,8 +5818,8 @@ LS-scale= 1.510 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.24E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.24E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 S/ESD 1 1 0.020 0.9E+00 0.128E-01 1.59 SCALE [44] Resetting shift for Extinction Shift= 46.0 Esd= 9.6 New shift= 9.37 [13] LARGE 2 2 9.3 0.1E+01 0.9 E+01 4.7 EXTPARAM @@ -5863,15 +5863,15 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [38] Mean 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 6. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 9. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5916,57 +5916,57 @@ Inter cycle Rw -5.0 1.9 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -6474,8 +6474,8 @@ LS-scale= 1.531 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 -0.034 0.0E+00 0.111E-01 -3.06 SCALE [14] S/ESD 22 22 -0.041 0.0E+00 0.41 E-02 -10.1 C 4 U[ISO] [14] S/ESD 43 43 0.010 0.0E+00 0.11 E-02 8.6 O 8 U[ISO] @@ -6515,15 +6515,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.002 0.001 +[31] -0.000 0.003 0.001 [71] R.M.S. 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.009 +[31] 0.006 0.006 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.017 +[31] 0.012 0.013 0.017 [03] Reversals @@ -6568,57 +6568,57 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.008 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.008 0.005 0.006 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.03 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.014 0.014 +[31] 0.016 0.015 0.015 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.006 0.006 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.010 0.009 0.008 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.010 0.009 0.010 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6700,8 +6700,8 @@ LS-scale= 1.497 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.28E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6742,15 +6742,15 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.003 +[31] 0.001 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.007 +[31] 0.002 0.004 0.008 [03] Reversals @@ -6795,57 +6795,57 @@ Inter cycle Rw -5.0 2.2 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6927,8 +6927,8 @@ LS-scale= 1.499 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.27E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -6972,12 +6972,12 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.001 [03] Reversals @@ -7022,57 +7022,57 @@ All cycle Min function 0.0 0.48E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.010 0.009 0.009 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.006 +[31] 0.009 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.007 0.008 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, NOANOM @@ -7483,8 +7483,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -7525,12 +7525,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -7575,57 +7575,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -7707,8 +7707,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7752,12 +7752,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -7802,57 +7802,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -7934,8 +7934,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -7979,12 +7979,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -8029,57 +8029,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -8174,8 +8174,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -8217,12 +8217,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -8267,57 +8267,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8399,8 +8399,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8444,12 +8444,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -8494,57 +8494,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8626,8 +8626,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8671,12 +8671,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -8721,57 +8721,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -8853,8 +8853,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -8891,15 +8891,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8944,57 +8944,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -9091,8 +9091,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -9146,15 +9146,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9199,57 +9199,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9331,8 +9331,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -9377,15 +9377,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9430,57 +9430,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -9983,8 +9983,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -10023,15 +10023,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -10076,57 +10076,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10208,8 +10208,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10250,15 +10250,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -10303,57 +10303,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10435,8 +10435,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -10480,12 +10480,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -10530,57 +10530,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # FSQ, ANOM @@ -10991,8 +10991,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -11033,12 +11033,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -11083,57 +11083,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -11215,8 +11215,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11260,12 +11260,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -11310,57 +11310,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11442,8 +11442,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -11487,12 +11487,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -11537,57 +11537,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -11682,8 +11682,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -11725,12 +11725,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -11775,57 +11775,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -11907,8 +11907,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -11952,12 +11952,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -12002,57 +12002,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12134,8 +12134,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12179,12 +12179,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -12229,57 +12229,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -12361,8 +12361,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -12399,15 +12399,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12452,57 +12452,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -12599,8 +12599,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -12654,15 +12654,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12707,57 +12707,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -12839,8 +12839,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -12885,15 +12885,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12938,57 +12938,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -13491,8 +13491,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -13531,15 +13531,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -13584,57 +13584,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13716,8 +13716,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13758,15 +13758,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -13811,57 +13811,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13943,8 +13943,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -13988,12 +13988,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14038,57 +14038,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS # AND CLOSE THE PROGRAM. diff --git a/test_suite/MIN64GHGUI.org/test2.out b/test_suite/MIN64GHGUI.org/test2.out index b0732f127..def774819 100644 --- a/test_suite/MIN64GHGUI.org/test2.out +++ b/test_suite/MIN64GHGUI.org/test2.out @@ -905,8 +905,8 @@ LS-scale= 4.136 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.82E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.82E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 [13] LARGE 1 1 1.4 0.0E+00 0.3 E+00 3.7 SCALE for 41 parameters @@ -944,15 +944,15 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [38] Mean 1.41 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.001 0.000 0.007 +[31] -0.001 0.001 0.008 [71] R.M.S. 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.036 0.021 +[31] 0.019 0.036 0.022 [70] Maximum 1. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.089 0.046 +[31] 0.041 0.089 0.047 [03] Reversals @@ -997,52 +997,52 @@ All cycle Min function 0.0 0.44E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.013 0.013 0.012 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.014 0.015 +[31] 0.016 0.014 0.015 [37] C 9. 1.00 1.00 0.01 0.09 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.025 0.023 0.022 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1124,8 +1124,8 @@ LS-scale= 4.303 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.25E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.25E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1169,12 +1169,12 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.006 +[31] 0.004 0.007 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.015 0.015 +[31] 0.010 0.015 0.015 [03] Reversals @@ -1219,52 +1219,52 @@ Inter cycle Rw -5.0 2.4 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.013 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.02 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.019 0.019 +[31] 0.021 0.020 0.019 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1346,8 +1346,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1388,15 +1388,15 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.002 0.000 +[31] 0.001 0.003 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.006 0.002 +[31] 0.001 0.007 0.002 [03] Reversals @@ -1441,52 +1441,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1568,8 +1568,8 @@ LS-scale= 4.294 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1613,12 +1613,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -1663,52 +1663,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.20 0.31 0.87 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1790,8 +1790,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -1828,15 +1828,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -1881,52 +1881,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SFLS @@ -2009,8 +2009,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.29E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4.29E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 4E+01 rel. error: 4E-06 for 41 parameters [64] The rms (shift/su) = 0. @@ -2047,15 +2047,15 @@ All cycle Rw 0.0 45. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2100,52 +2100,52 @@ All cycle Rw 0.0 45. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.012 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 1.00 0.21 0.04 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 1.00 0.47 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 1.00 0.19 0.31 0.87 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 1.00 0.01 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.019 0.019 0.018 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -2242,8 +2242,8 @@ LS-scale= 4.293 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.26E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.26E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 42 42 0.010 0.0E+00 0.60 E-02 1.7 C 5 U[22] [14] S/ESD 52 52 -0.010 0.0E+00 0.58 E-02 -1.7 C 6 U[33] [14] S/ESD 59 59 0.022 0.0E+00 0.66 E-02 3.3 C 7 U[11] @@ -2295,12 +2295,12 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.03 0.03 0.01 0.01 0.01 0.01 -[31] 0.012 0.005 0.003 +[31] 0.012 0.006 0.004 [03] Reversals @@ -2345,52 +2345,52 @@ All cycle Min function 0.0 0.39E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.008 +[31] 0.009 0.009 0.009 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.013 +[31] 0.013 0.012 0.013 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.011 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.012 0.012 0.012 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.013 +[31] 0.014 0.014 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.013 0.013 +[31] 0.014 0.013 0.013 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.03 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.019 0.018 0.018 +[31] 0.020 0.019 0.018 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2472,8 +2472,8 @@ LS-scale= 4.287 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.36E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1.36E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 78 78 0.019 0.5E+00 0.12 E-01 1.5 C 9 U[22] for 91 parameters @@ -2518,12 +2518,12 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.007 0.006 +[31] 0.007 0.007 0.007 [03] Reversals @@ -2568,52 +2568,52 @@ Inter cycle Rw -5.0 1.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.012 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.014 0.012 0.012 +[31] 0.015 0.012 0.012 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.013 0.011 +[31] 0.013 0.014 0.011 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.013 0.020 0.016 +[31] 0.014 0.020 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2695,8 +2695,8 @@ LS-scale= 4.308 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2740,12 +2740,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.002 +[31] 0.002 0.004 0.003 [03] Reversals @@ -2790,52 +2790,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.022 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -2917,8 +2917,8 @@ LS-scale= 4.311 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.37E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.37E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -2962,12 +2962,12 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.001 +[31] 0.001 0.002 0.001 [03] Reversals @@ -3012,52 +3012,52 @@ All cycle Min function 0.0 0.36E+06 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -3139,8 +3139,8 @@ LS-scale= 4.312 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.38E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1.38E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 1E+02 rel. error: 1E-05 for 91 parameters [64] The rms (shift/su) = 0. @@ -3180,12 +3180,12 @@ All cycle Rw 0.0 44. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -3230,52 +3230,52 @@ All cycle Rw 0.0 44. 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.012 0.010 +[31] 0.011 0.012 0.011 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.009 0.008 +[31] 0.009 0.009 0.008 [37] C 3. 1.00 0.00 0.21 0.04 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.013 0.011 +[31] 0.012 0.013 0.011 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.010 0.010 0.010 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.013 0.011 +[31] 0.012 0.013 0.011 [37] C 6. 1.00 0.00 0.47 0.14 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.010 +[31] 0.013 0.011 0.011 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.012 0.012 +[31] 0.015 0.012 0.013 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.014 0.011 +[31] 0.013 0.014 0.012 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -[31] 0.014 0.022 0.016 +[31] 0.014 0.023 0.016 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.003 0.003 [84] Mean C-C su = 0.01 #CYCLENDS # @@ -3298,36 +3298,36 @@ All cycle Rw 0.0 44. 0.10E+03 Reflections with greatest unexpected extra intensity: h k l (Fo2-Fc2)/s Fo^2 Fc^2 Sigma -[94] 1 5 2 56.18 2883.1 8. 51.2 -[94] 2 3 4 54.41 7139.2 294. 125.8 -[94] 0 1 3 53.85 1068.6 3. 19.8 -[94] 1 4 0 51.95 14475.9 1210. 255.3 -[94] 2 2 1 51.48 1019.6 161. 16.7 -[94] -1 3 2 49.97 27836.6 21. 556.6 -[94] 2 1 5 49.85 3549.5 334. 64.5 -[94] 1 1 7 49.63 1803.8 10. 36.1 -[94] -1 3 1 48.26 16032.5 49. 331.2 -[94] 1 2 4 48.04 7929.7 315. 158.5 -[94] 4 2 2 47.95 3638.6 18. 75.5 -[94] 1 6 0 46.90 1748.1 476. 27.1 -[94] 1 7 3 46.43 4585.1 7. 98.6 -[94] -1 4 4 45.81 2768.0 249. 55.0 -[94] 1 4 5 45.35 2854.0 6. 62.8 -[94] 1 7 1 45.31 5566.9 195. 118.5 -[94] 1 3 6 45.25 10318.9 1924. 185.5 -[94] -1 5 1 45.05 1132.8 176. 21.2 -[94] 2 1 3 42.93 4017.0 1240. 64.7 -[94] 3 2 1 42.93 18145.0 5482. 295.0 -[94] 3 1 1 42.73 10184.8 3721. 151.3 -[94] -1 7 3 41.11 3420.5 628. 67.9 -[94] 1 3 2 40.51 21453.3 8853. 311.1 -[94] 3 1 7 39.98 2458.5 93. 59.1 -[94] -2 1 4 39.49 6914.0 13. 174.7 -[94] 3 3 6 39.35 9058.6 218. 224.7 -[94] -1 1 6 39.09 16077.7 3226. 328.7 -[94] -1 4 3 39.09 27203.2 6960. 517.8 -[94] 5 1 0 39.07 4400.8 544. 98.7 -[94] -2 1 2 38.92 5904.6 1166. 121.7 +[94] 1 5 2 56.18 2883.1 9 51.2 +[94] 2 3 4 54.41 7139.2 294 125.8 +[94] 0 1 3 53.85 1068.6 3 19.8 +[94] 1 4 0 51.95 14475.9 1210 255.3 +[94] 2 2 1 51.48 1019.6 161 16.7 +[94] -1 3 2 49.97 27836.6 21 556.6 +[94] 2 1 5 49.85 3549.5 334 64.5 +[94] 1 1 7 49.63 1803.8 11 36.1 +[94] -1 3 1 48.26 16032.5 49 331.2 +[94] 1 2 4 48.04 7929.7 315 158.5 +[94] 4 2 2 47.95 3638.6 19 75.5 +[94] 1 6 0 46.90 1748.1 477 27.1 +[94] 1 7 3 46.43 4585.1 8 98.6 +[94] -1 4 4 45.81 2768.0 250 55.0 +[94] 1 4 5 45.35 2854.0 6 62.8 +[94] 1 7 1 45.31 5566.9 195 118.5 +[94] 1 3 6 45.25 10318.9 1924 185.5 +[94] -1 5 1 45.05 1132.8 177 21.2 +[94] 2 1 3 42.93 4017.0 1241 64.7 +[94] 3 2 1 42.93 18145.0 5483 295.0 +[94] 3 1 1 42.73 10184.8 3721 151.3 +[94] -1 7 3 41.11 3420.5 628 67.9 +[94] 1 3 2 40.51 21453.3 8854 311.1 +[94] 3 1 7 39.98 2458.5 94 59.1 +[94] -2 1 4 39.49 6914.0 14 174.7 +[94] 3 3 6 39.35 9058.6 218 224.7 +[94] -1 1 6 39.09 16077.7 3227 328.7 +[94] -1 4 3 39.09 27203.2 6961 517.8 +[94] 5 1 0 39.07 4400.8 544 98.7 +[94] -2 1 2 38.92 5904.6 1167 121.7 Each set of indices above is transformed by the printed rotation matrix. How far the transformed indices are @@ -3714,8 +3714,8 @@ LS-scale= 4.747 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.3 E-02 18.4 ELEMENT 2 @@ -3757,12 +3757,12 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.017 0.018 +[31] 0.020 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.041 0.028 0.038 +[31] 0.042 0.028 0.038 [03] Reversals @@ -3818,52 +3818,52 @@ All cycle Min function 0.0 0.95E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.005 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.012 +[31] 0.012 0.011 0.012 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3945,8 +3945,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 1 S/ESD 32 32 0.023 0.3E+00 0.326E-02 6.95 ELEMENT 2 @@ -3992,12 +3992,12 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -4053,52 +4053,52 @@ Inter cycle Rw -5.0 4.2 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4180,8 +4180,8 @@ LS-scale= 4.748 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4225,12 +4225,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -4286,52 +4286,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4413,8 +4413,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4458,12 +4458,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -4519,52 +4519,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -4646,8 +4646,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -4688,15 +4688,15 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -4752,52 +4752,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -4904,8 +4904,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 1. @@ -4945,12 +4945,12 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [03] Reversals @@ -5006,52 +5006,52 @@ All cycle Min function 0.0 0.61E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5133,8 +5133,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5175,15 +5175,15 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.001 [03] Reversals @@ -5239,52 +5239,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5366,8 +5366,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -5404,15 +5404,15 @@ All cycle Rw 0.0 18. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -5468,52 +5468,52 @@ All cycle Rw 0.0 18. 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -5621,8 +5621,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.68E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.68E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.7 C 9 U[ISO] for 47 parameters @@ -5663,12 +5663,12 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.005 +[31] 0.009 0.006 0.005 [03] Reversals @@ -5724,52 +5724,52 @@ All cycle Min function 0.0 0.59E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -5851,8 +5851,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -5893,15 +5893,15 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.004 0.002 [03] Reversals @@ -5957,52 +5957,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6084,8 +6084,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6126,15 +6126,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -6190,52 +6190,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6317,8 +6317,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6359,15 +6359,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6423,52 +6423,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -6550,8 +6550,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -6592,15 +6592,15 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -6656,52 +6656,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -6809,8 +6809,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.28E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.28E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.026 0.0E+00 0.28 E-02 9.3 C 7 U[11] [14] S/ESD 60 60 -0.015 0.0E+00 0.28 E-02 -5.3 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -6861,12 +6861,12 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.005 0.003 +[31] 0.004 0.006 0.003 [03] Reversals @@ -6922,52 +6922,52 @@ All cycle Min function 0.0 0.43E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.03 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7049,8 +7049,8 @@ LS-scale= 4.750 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.89E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 5.0 C 7 U[11] [14] S/ESD 78 78 0.015 0.5E+00 0.32 E-02 4.8 C 9 U[22] @@ -7096,12 +7096,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -7157,52 +7157,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7284,8 +7284,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.69E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.69E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7329,12 +7329,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -7390,52 +7390,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7517,8 +7517,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.93E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.93E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7562,12 +7562,12 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -7623,52 +7623,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -7750,8 +7750,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.99E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.99E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -7792,15 +7792,15 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -7856,52 +7856,52 @@ All cycle Min function 0.0 0.26E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.003 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -8225,8 +8225,8 @@ LS-scale= 4.749 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.89E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.89E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.024 0.0E+00 0.964E-02 -2.47 SCALE for 92 parameters @@ -8267,12 +8267,12 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.006 +[31] 0.010 0.011 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.025 0.016 +[31] 0.018 0.025 0.016 [03] Reversals @@ -8328,52 +8328,52 @@ All cycle Min function 0.0 0.11E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8455,8 +8455,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.34 SCALE for 92 parameters @@ -8501,12 +8501,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -8562,52 +8562,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8689,8 +8689,8 @@ LS-scale= 4.743 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.032 0.1E+01 0.960E-02 -3.29 SCALE for 92 parameters @@ -8732,15 +8732,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -8796,52 +8796,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -8923,8 +8923,8 @@ LS-scale= 4.739 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.031 0.1E+01 0.960E-02 -3.23 SCALE for 92 parameters @@ -8966,15 +8966,15 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9030,52 +9030,52 @@ All cycle Min function 0.0 0.78E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9157,8 +9157,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.030 0.1E+01 0.960E-02 -3.17 SCALE for 92 parameters @@ -9200,15 +9200,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9264,52 +9264,52 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -9657,8 +9657,8 @@ LS-scale= 4.733 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.20E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.20E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.5E+00 0.965E-02 -1.68 SCALE for 92 parameters @@ -9696,15 +9696,15 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.002 [03] Reversals @@ -9760,52 +9760,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -9887,8 +9887,8 @@ LS-scale= 4.731 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.97E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.97E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.70 SCALE for 92 parameters @@ -9930,15 +9930,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -9994,52 +9994,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10121,8 +10121,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.965E-02 -1.67 SCALE for 92 parameters @@ -10164,15 +10164,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10228,52 +10228,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10355,8 +10355,8 @@ LS-scale= 4.728 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.95E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.95E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.64 SCALE for 92 parameters @@ -10398,15 +10398,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10462,52 +10462,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -10589,8 +10589,8 @@ LS-scale= 4.726 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.016 0.1E+01 0.964E-02 -1.62 SCALE for 92 parameters @@ -10632,15 +10632,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -10696,52 +10696,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -10978,8 +10978,8 @@ LS-scale= 4.724 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.59 SCALE for 92 parameters @@ -11017,15 +11017,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11081,52 +11081,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11209,8 +11209,8 @@ LS-scale= 4.723 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.56 SCALE for 92 parameters @@ -11248,15 +11248,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11312,52 +11312,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11440,8 +11440,8 @@ LS-scale= 4.721 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.53 SCALE for 92 parameters @@ -11479,15 +11479,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11543,52 +11543,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11671,8 +11671,8 @@ LS-scale= 4.720 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.015 0.1E+01 0.964E-02 -1.51 SCALE for 92 parameters @@ -11710,15 +11710,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -11774,52 +11774,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -11902,8 +11902,8 @@ LS-scale= 4.718 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.48 SCALE for 92 parameters @@ -11941,15 +11941,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12005,52 +12005,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12133,8 +12133,8 @@ LS-scale= 4.717 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.96E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 5.96E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 S/ESD 1 1 -0.014 0.1E+01 0.964E-02 -1.45 SCALE for 92 parameters @@ -12172,15 +12172,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -12236,52 +12236,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -12872,8 +12872,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.11E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.11E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.13 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -12916,12 +12916,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -12977,52 +12977,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13104,8 +13104,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.85E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.62 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.42 ELEMENT 2 @@ -13152,12 +13152,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.007 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.005 +[31] 0.019 0.004 0.005 [03] Reversals @@ -13213,52 +13213,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13340,8 +13340,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.67 SCALE for 32 parameters @@ -13386,12 +13386,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.002 0.002 [03] Reversals @@ -13447,52 +13447,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13574,8 +13574,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.83E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.83E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.44 SCALE for 32 parameters @@ -13620,12 +13620,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -13681,52 +13681,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -13808,8 +13808,8 @@ LS-scale= 4.843 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -13850,15 +13850,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -13914,52 +13914,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -14066,8 +14066,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.08 SCALE for 33 parameters @@ -14105,15 +14105,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -14169,52 +14169,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14296,8 +14296,8 @@ LS-scale= 4.831 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.51 SCALE for 33 parameters @@ -14339,15 +14339,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -14403,52 +14403,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14530,8 +14530,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14572,15 +14572,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14636,52 +14636,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14763,8 +14763,8 @@ LS-scale= 4.810 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -14805,15 +14805,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -14869,52 +14869,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -14996,8 +14996,8 @@ LS-scale= 4.804 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -15038,15 +15038,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -15102,52 +15102,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -15255,8 +15255,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.4 C 9 U[ISO] @@ -15298,12 +15298,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.004 0.005 +[31] 0.010 0.004 0.005 [03] Reversals @@ -15359,52 +15359,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15486,8 +15486,8 @@ LS-scale= 4.781 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -15532,12 +15532,12 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -15593,52 +15593,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15720,8 +15720,8 @@ LS-scale= 4.764 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -15763,15 +15763,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -15827,52 +15827,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -15954,8 +15954,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -15996,15 +15996,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -16060,52 +16060,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16187,8 +16187,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -16229,15 +16229,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -16293,52 +16293,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -16446,8 +16446,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.02E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.02E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.7 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -16497,12 +16497,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.003 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -16558,52 +16558,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16685,8 +16685,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.65E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.65E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.5 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -16732,12 +16732,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.002 [03] Reversals @@ -16793,52 +16793,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -16920,8 +16920,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -16965,12 +16965,12 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.001 [03] Reversals @@ -17026,52 +17026,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17153,8 +17153,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17198,12 +17198,12 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -17259,52 +17259,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -17386,8 +17386,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.61E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.61E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -17424,15 +17424,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -17488,52 +17488,52 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -17857,8 +17857,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.50E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.50E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.18 SCALE for 92 parameters @@ -17899,12 +17899,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -17960,52 +17960,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18087,8 +18087,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.70E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.70E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.04 SCALE for 92 parameters @@ -18130,15 +18130,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -18194,52 +18194,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18321,8 +18321,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.78E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.78E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18363,15 +18363,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -18427,52 +18427,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18554,8 +18554,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18596,15 +18596,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18660,52 +18660,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -18787,8 +18787,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -18825,15 +18825,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -18889,52 +18889,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -19282,8 +19282,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19323,12 +19323,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -19384,52 +19384,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19511,8 +19511,8 @@ LS-scale= 4.637 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19553,15 +19553,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19617,52 +19617,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -19744,8 +19744,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -19782,15 +19782,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -19846,52 +19846,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20128,8 +20128,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20166,15 +20166,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20230,52 +20230,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20358,8 +20358,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20396,15 +20396,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20460,52 +20460,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20588,8 +20588,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20626,15 +20626,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20690,52 +20690,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -20818,8 +20818,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -20856,15 +20856,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -20920,52 +20920,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21048,8 +21048,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21086,15 +21086,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21150,52 +21150,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21278,8 +21278,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -21316,15 +21316,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -21380,52 +21380,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -21965,8 +21965,8 @@ LS-scale= 4.646 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.30E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.30E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.0E+00 0.989E-02 1.01 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 17.2 ELEMENT 2 @@ -22009,12 +22009,12 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.017 0.017 +[31] 0.021 0.017 0.018 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.028 0.036 +[31] 0.043 0.028 0.036 [03] Reversals @@ -22070,52 +22070,52 @@ All cycle Min function 0.0 0.10E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.008 +[31] 0.011 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.009 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.013 +[31] 0.013 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22197,8 +22197,8 @@ LS-scale= 4.647 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.25E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.25E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.49 SCALE S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 1 S/ESD 32 32 0.025 0.4E+00 0.350E-02 7.04 ELEMENT 2 @@ -22245,12 +22245,12 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.003 +[31] 0.006 0.002 0.004 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.004 0.010 +[31] 0.018 0.004 0.011 [03] Reversals @@ -22306,52 +22306,52 @@ Inter cycle Rw -5.0 3.9 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22433,8 +22433,8 @@ LS-scale= 4.649 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.24E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.24E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.53 SCALE for 32 parameters @@ -22479,12 +22479,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.002 +[31] 0.005 0.001 0.003 [03] Reversals @@ -22540,52 +22540,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22667,8 +22667,8 @@ LS-scale= 4.650 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.52 SCALE for 32 parameters @@ -22713,12 +22713,12 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.000 0.001 [03] Reversals @@ -22774,52 +22774,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.011 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -22901,8 +22901,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.23E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.015 0.1E+01 0.987E-02 1.50 SCALE for 32 parameters @@ -22944,15 +22944,15 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [38] Mean 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -23008,52 +23008,52 @@ All cycle Min function 0.0 0.69E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.007 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -23160,8 +23160,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.31E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.31E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 2. @@ -23201,12 +23201,12 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [03] Reversals @@ -23262,52 +23262,52 @@ All cycle Min function 0.0 0.68E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.007 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23389,8 +23389,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.20E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.20E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23431,15 +23431,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -23495,52 +23495,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23622,8 +23622,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23664,15 +23664,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23728,52 +23728,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -23855,8 +23855,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -23897,15 +23897,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -23961,52 +23961,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24088,8 +24088,8 @@ LS-scale= 4.656 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.21E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.21E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -24130,15 +24130,15 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -24194,52 +24194,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -24347,8 +24347,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.66E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.66E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 [14] S/ESD 37 37 -0.020 0.0E+00 0.21 E-02 -9.5 C 9 U[ISO] for 47 parameters @@ -24389,12 +24389,12 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.002 [70] Maximum 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.007 0.006 +[31] 0.011 0.007 0.006 [03] Reversals @@ -24450,52 +24450,52 @@ All cycle Min function 0.0 0.62E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 -0.00 0.00 -0.02 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24577,8 +24577,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.14E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.14E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24619,15 +24619,15 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.002 +[31] 0.004 0.004 0.002 [03] Reversals @@ -24683,52 +24683,52 @@ Inter cycle Rw -5.0 2.8 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -24810,8 +24810,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.08E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.08E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -24852,15 +24852,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -24916,52 +24916,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25043,8 +25043,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25085,15 +25085,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25149,52 +25149,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25276,8 +25276,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.09E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.09E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -25318,15 +25318,15 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -25382,52 +25382,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.003 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -25535,8 +25535,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.27E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.27E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.28 E-02 9.1 C 7 U[11] [14] S/ESD 60 60 -0.014 0.0E+00 0.28 E-02 -5.2 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.24 E-02 7.0 C 7 U[13] @@ -25587,12 +25587,12 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.004 0.006 0.003 +[31] 0.004 0.006 0.004 [03] Reversals @@ -25648,52 +25648,52 @@ All cycle Min function 0.0 0.44E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -25775,8 +25775,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.91E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 5.91E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.014 0.5E+00 0.28 E-02 4.8 C 7 U[11] [14] S/ESD 78 78 0.015 0.4E+00 0.31 E-02 4.7 C 9 U[22] @@ -25822,12 +25822,12 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.002 +[31] 0.005 0.004 0.002 [03] Reversals @@ -25883,52 +25883,52 @@ Inter cycle Rw -5.0 3.1 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26010,8 +26010,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.64E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.64E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26055,12 +26055,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.001 0.002 0.000 [03] Reversals @@ -26116,52 +26116,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26243,8 +26243,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.87E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.87E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26288,12 +26288,12 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -26349,52 +26349,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -26476,8 +26476,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.92E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 6.92E-06 +[80a] Block No 1. Single precision relative error: 7E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 6E+01 rel. error: 7E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -26518,15 +26518,15 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -26582,52 +26582,52 @@ All cycle Min function 0.0 0.27E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.003 0.003 0.003 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.003 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.004 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -26951,8 +26951,8 @@ LS-scale= 4.660 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 7.94E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 7.94E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 2. @@ -26992,12 +26992,12 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.010 0.006 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.023 0.015 +[31] 0.017 0.024 0.015 [03] Reversals @@ -27053,52 +27053,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27180,8 +27180,8 @@ LS-scale= 4.659 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.04E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.04E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.15 SCALE for 92 parameters @@ -27226,12 +27226,12 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -27287,52 +27287,52 @@ Inter cycle Rw -5.0 1.2 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27414,8 +27414,8 @@ LS-scale= 4.658 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.01E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.01E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.011 0.1E+01 0.957E-02 -1.11 SCALE for 92 parameters @@ -27457,15 +27457,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27521,52 +27521,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27648,8 +27648,8 @@ LS-scale= 4.657 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.957E-02 -1.07 SCALE for 92 parameters @@ -27691,15 +27691,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27755,52 +27755,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -27882,8 +27882,8 @@ LS-scale= 4.655 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.00E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8.00E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 7E+01 rel. error: 8E-06 S/ESD 1 1 -0.010 0.1E+01 0.956E-02 -1.04 SCALE for 92 parameters @@ -27925,15 +27925,15 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -27989,52 +27989,52 @@ All cycle Min function 0.0 0.66E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -28386,8 +28386,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.21E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.21E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28427,12 +28427,12 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.003 0.001 0.002 [03] Reversals @@ -28488,52 +28488,52 @@ All cycle Min function 0.0 0.20E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28615,8 +28615,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.03E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.03E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28657,15 +28657,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28721,52 +28721,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -28848,8 +28848,8 @@ LS-scale= 4.654 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -28890,15 +28890,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -28954,52 +28954,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29081,8 +29081,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29123,15 +29123,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29187,52 +29187,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -29314,8 +29314,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29356,15 +29356,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29420,52 +29420,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29702,8 +29702,8 @@ LS-scale= 4.653 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29740,15 +29740,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -29804,52 +29804,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -29932,8 +29932,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -29970,15 +29970,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30034,52 +30034,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30162,8 +30162,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30200,15 +30200,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30264,52 +30264,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30392,8 +30392,8 @@ LS-scale= 4.652 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30430,15 +30430,15 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30494,52 +30494,52 @@ All cycle Min function 0.0 0.19E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30622,8 +30622,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30660,15 +30660,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30724,52 +30724,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -30852,8 +30852,8 @@ LS-scale= 4.651 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 6.02E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6.02E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 5E+01 rel. error: 6E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -30890,15 +30890,15 @@ All cycle Rw 0.0 6.3 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -30954,52 +30954,52 @@ All cycle Rw 0.0 6.3 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -31540,8 +31540,8 @@ LS-scale= 4.746 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.09E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5.09E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.033 0.0E+00 0.806E-02 4.11 SCALE [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 1 [13] LARGE 32 32 0.0 0.0E+00 0.4 E-02 18.2 ELEMENT 2 @@ -31584,12 +31584,12 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.022 0.018 0.020 +[31] 0.022 0.018 0.020 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.048 0.030 0.045 +[31] 0.048 0.030 0.045 [03] Reversals @@ -31645,52 +31645,52 @@ All cycle Min function 0.0 0.12E+06 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.006 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.008 0.008 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.008 +[31] 0.009 0.008 0.008 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.008 0.007 +[31] 0.010 0.008 0.008 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.008 0.008 +[31] 0.008 0.008 0.009 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.012 0.012 0.013 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -31772,8 +31772,8 @@ LS-scale= 4.779 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.89E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.034 0.1E+01 0.735E-02 4.60 SCALE S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 1 S/ESD 32 32 0.025 0.3E+00 0.334E-02 7.41 ELEMENT 2 @@ -31820,12 +31820,12 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.002 0.002 +[31] 0.008 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.003 0.004 +[31] 0.018 0.004 0.005 [03] Reversals @@ -31881,52 +31881,52 @@ Inter cycle Rw -5.0 2.6 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.005 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.010 +[31] 0.010 0.010 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32008,8 +32008,8 @@ LS-scale= 4.813 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.86E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.86E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.019 0.6E+00 0.725E-02 2.65 SCALE for 32 parameters @@ -32054,12 +32054,12 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.001 0.001 +[31] 0.005 0.002 0.002 [03] Reversals @@ -32115,52 +32115,52 @@ All cycle Min function 0.0 0.73E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.010 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32242,8 +32242,8 @@ LS-scale= 4.832 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 S/ESD 1 1 0.010 0.5E+00 0.724E-02 1.43 SCALE for 32 parameters @@ -32288,12 +32288,12 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.000 0.000 +[31] 0.002 0.001 0.001 [03] Reversals @@ -32349,52 +32349,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32476,8 +32476,8 @@ LS-scale= 4.842 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.84E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 32 parameters [64] The rms (shift/su) = 0. @@ -32518,15 +32518,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -32582,52 +32582,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.87 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U[ISO] OF CL AND TWIN ELEMENTS ONLY @@ -32734,8 +32734,8 @@ LS-scale= 4.848 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.43E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.43E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.017 0.0E+00 0.829E-02 -2.07 SCALE for 33 parameters @@ -32773,15 +32773,15 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -32837,52 +32837,52 @@ All cycle Min function 0.0 0.72E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -32964,8 +32964,8 @@ LS-scale= 4.830 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.48E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.48E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 S/ESD 1 1 -0.012 0.7E+00 0.826E-02 -1.50 SCALE for 33 parameters @@ -33007,15 +33007,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] -0.000 0.000 0.000 +[31] -0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [03] Reversals @@ -33071,52 +33071,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33198,8 +33198,8 @@ LS-scale= 4.818 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.49E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.49E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33240,15 +33240,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33304,52 +33304,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33431,8 +33431,8 @@ LS-scale= 4.809 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33473,15 +33473,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33537,52 +33537,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -33664,8 +33664,8 @@ LS-scale= 4.803 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.50E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.50E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 33 parameters [64] The rms (shift/su) = 0. @@ -33706,15 +33706,15 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -33770,52 +33770,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.06 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 1.00 -0.21 0.17 0.54 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S OF CL, U[ISO] OF OTHER AND TWIN ELEMENTS ONLY @@ -33923,8 +33923,8 @@ LS-scale= 4.799 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.76E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 1.76E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 1E+01 rel. error: 2E-06 S/ESD 1 1 -0.019 0.0E+00 0.866E-02 -2.16 SCALE [14] S/ESD 37 37 -0.017 0.0E+00 0.20 E-02 -8.5 C 9 U[ISO] @@ -33966,12 +33966,12 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.003 0.003 0.002 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.004 0.005 +[31] 0.010 0.005 0.005 [03] Reversals @@ -34027,52 +34027,52 @@ All cycle Min function 0.0 0.71E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.006 0.006 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.006 [37] C 7. 1.00 1.00 0.18 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.009 0.009 0.009 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34154,8 +34154,8 @@ LS-scale= 4.780 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.18E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.18E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.017 0.9E+00 0.831E-02 -2.06 SCALE for 47 parameters @@ -34197,15 +34197,15 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.001 +[31] 0.004 0.003 0.001 [03] Reversals @@ -34261,52 +34261,52 @@ Inter cycle Rw -5.0 1.3 0.10E+03 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34388,8 +34388,8 @@ LS-scale= 4.763 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.19E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.19E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 S/ESD 1 1 -0.012 0.7E+00 0.831E-02 -1.49 SCALE for 47 parameters @@ -34431,15 +34431,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -34495,52 +34495,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34622,8 +34622,8 @@ LS-scale= 4.751 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34664,15 +34664,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [03] Reversals @@ -34728,52 +34728,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -34855,8 +34855,8 @@ LS-scale= 4.742 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.20E-06 -[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2.20E-06 +[80a] Block No 1. Single precision relative error: 2E-06 +[80] (sp inverse) 1-norm: 4E+00 cond. number: 2E+01 rel. error: 2E-06 for 47 parameters [64] The rms (shift/su) = 0. @@ -34897,15 +34897,15 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [38] Mean 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -34961,52 +34961,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 1.00 0.20 0.16 0.89 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 1.00 0.29 0.11 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.003 0.004 [37] C 3. 1.00 1.00 0.21 0.03 0.71 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 1.00 0.33 0.01 0.65 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 1.00 0.49 0.08 0.71 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 1.00 0.46 0.14 0.80 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 1.00 0.19 0.31 0.88 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 1.00 0.32 0.12 1.01 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 1.00 0.00 0.10 0.86 0.05 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # X'S, U'S AND TWIN ELEMENTS. @@ -35114,8 +35114,8 @@ LS-scale= 4.736 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.03E-06 -[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4.03E-06 +[80a] Block No 1. Single precision relative error: 4E-06 +[80] (sp inverse) 1-norm: 6E+00 cond. number: 3E+01 rel. error: 4E-06 [14] S/ESD 59 59 0.025 0.0E+00 0.29 E-02 8.6 C 7 U[11] [14] S/ESD 60 60 -0.016 0.0E+00 0.29 E-02 -5.6 C 7 U[22] [14] S/ESD 63 63 0.017 0.0E+00 0.26 E-02 6.6 C 7 U[13] @@ -35165,12 +35165,12 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.003 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.01 0.02 -[31] 0.006 0.004 0.003 +[31] 0.007 0.004 0.004 [03] Reversals @@ -35226,52 +35226,52 @@ All cycle Min function 0.0 0.52E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.005 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.00 -0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.006 0.006 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35353,8 +35353,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.66E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 5.66E-06 +[80a] Block No 1. Single precision relative error: 6E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 5E+01 rel. error: 6E-06 [14] S/ESD 59 59 0.013 0.5E+00 0.30 E-02 4.4 C 7 U[11] [14] S/ESD 78 78 0.013 0.4E+00 0.33 E-02 4.0 C 9 U[22] @@ -35400,12 +35400,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.003 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.002 +[31] 0.007 0.005 0.003 [03] Reversals @@ -35461,52 +35461,52 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.005 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35588,8 +35588,8 @@ LS-scale= 4.729 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.23E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.23E-06 +[80a] Block No 1. Single precision relative error: 8E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35630,15 +35630,15 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.000 +[31] 0.002 0.002 0.001 [03] Reversals @@ -35694,52 +35694,52 @@ All cycle Min function 0.0 0.33E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -35821,8 +35821,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.54E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.54E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -35863,15 +35863,15 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -35927,52 +35927,52 @@ All cycle Min function 0.0 0.32E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36054,8 +36054,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.62E-06 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 8.62E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 7E+01 rel. error: 9E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -36092,15 +36092,15 @@ All cycle Rw 0.0 6.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -36156,52 +36156,52 @@ All cycle Rw 0.0 6.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.003 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.003 +[31] 0.004 0.004 0.004 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.002 +[31] 0.004 0.003 0.003 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.003 +[31] 0.004 0.004 0.004 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.09 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.007 0.004 0.005 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] C 9. 1.00 0.00 0.00 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.006 0.004 +[31] 0.004 0.006 0.005 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS # PUT IN SOME GEOMETRIC H @@ -36525,8 +36525,8 @@ LS-scale= 4.730 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 8.51E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 8.51E-06 +[80a] Block No 1. Single precision relative error: 9E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 7E+01 rel. error: 9E-06 S/ESD 1 1 -0.062 0.0E+00 0.609E-02 -10.16 SCALE for 92 parameters @@ -36567,12 +36567,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.006 +[31] 0.009 0.009 0.007 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.022 0.013 +[31] 0.016 0.022 0.013 [03] Reversals @@ -36628,52 +36628,52 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.003 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.002 0.003 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.003 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.004 0.003 +[31] 0.003 0.004 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36755,8 +36755,8 @@ LS-scale= 4.668 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.71E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.71E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 S/ESD 1 1 -0.027 0.4E+00 0.540E-02 -5.03 SCALE for 92 parameters @@ -36798,15 +36798,15 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [38] Mean -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -36862,52 +36862,52 @@ All cycle Min function 0.0 0.97E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.003 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -36989,8 +36989,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.80E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.80E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37031,15 +37031,15 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37095,52 +37095,52 @@ All cycle Min function 0.0 0.96E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37222,8 +37222,8 @@ LS-scale= 4.633 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37264,15 +37264,15 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37328,52 +37328,52 @@ All cycle Min function 0.0 0.95E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -37455,8 +37455,8 @@ LS-scale= 4.630 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.81E-06 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 9.81E-06 +[80a] Block No 1. Single precision relative error: 10E-06 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 8E+01 rel. error: 10E-06 for 92 parameters [64] The rms (shift/su) = 0. @@ -37493,15 +37493,15 @@ All cycle Rw 0.0 3.5 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -37557,52 +37557,52 @@ All cycle Rw 0.0 3.5 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.87 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.003 0.002 +[31] 0.002 0.003 0.003 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.001 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 4 @@ -37950,8 +37950,8 @@ LS-scale= 4.629 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.11E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.11E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -37991,12 +37991,12 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.002 +[31] 0.004 0.005 0.003 [03] Reversals @@ -38052,52 +38052,52 @@ All cycle Min function 0.0 0.23E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38179,8 +38179,8 @@ LS-scale= 4.636 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38221,15 +38221,15 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38285,52 +38285,52 @@ All cycle Min function 0.0 0.22E+04 0.10E+16 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -38412,8 +38412,8 @@ LS-scale= 4.640 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.13E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.13E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38450,15 +38450,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38514,52 +38514,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -38796,8 +38796,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -38834,15 +38834,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -38898,52 +38898,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39026,8 +39026,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39064,15 +39064,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39128,52 +39128,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39256,8 +39256,8 @@ LS-scale= 4.641 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39294,15 +39294,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39358,52 +39358,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39486,8 +39486,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39524,15 +39524,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39588,52 +39588,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39716,8 +39716,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39754,15 +39754,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -39818,52 +39818,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -39946,8 +39946,8 @@ LS-scale= 4.642 Wilson Scale= 4.723 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.12E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1.12E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 9E+01 rel. error: 1E-05 for 92 parameters [64] The rms (shift/su) = 0. @@ -39984,15 +39984,15 @@ All cycle Rw 0.0 3.7 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -40048,52 +40048,52 @@ All cycle Rw 0.0 3.7 0.10E+03 [37] C 1. 1.00 0.00 0.20 0.16 0.89 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] N 2. 1.00 0.00 0.29 0.11 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.001 0.001 0.001 [37] C 3. 1.00 0.00 0.21 0.03 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] N 4. 1.00 0.00 0.33 0.01 0.65 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.001 0.001 [37] C 5. 1.00 0.00 0.49 0.08 0.71 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 6. 1.00 0.00 0.46 0.14 0.80 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 7. 1.00 0.00 0.19 0.31 0.88 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.001 0.002 +[31] 0.003 0.002 0.002 [37] C 8. 1.00 0.00 0.32 0.12 1.01 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [37] C 9. 1.00 0.00 0.01 0.10 0.86 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.001 +[31] 0.002 0.003 0.002 [37] CL 10. 1.00 0.00 -0.21 0.17 0.54 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS diff --git a/test_suite/MIN64GHGUI.org/test3.out b/test_suite/MIN64GHGUI.org/test3.out index 862c176af..a208efbba 100644 --- a/test_suite/MIN64GHGUI.org/test3.out +++ b/test_suite/MIN64GHGUI.org/test3.out @@ -4754,9 +4754,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -0.86 -2.28 1.2 0.03 -0.00 0.01 0.01 0.05 -0.04 -[35] -2.28 12.59 0.4 -0.00 0.05 -0.00 -0.03 -0.05 0.07 -[35] 1.25 0.48 1.5 0.01 -0.00 0.06 -0.01 0.02 0.03 +[35] -0.87 -2.29 1.25 0.04 -0.01 0.01 0.02 0.05 -0.05 +[35] -2.29 12.60 0.48 -0.01 0.06 -0.00 -0.03 -0.06 0.07 +[35] 1.25 0.48 1.57 0.01 -0.00 0.06 -0.01 0.02 0.04 @@ -4781,9 +4781,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.03 0.02 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 -0.03 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 -0.07 -0.06 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.03 0.03 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.01 0.02 -0.04 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 -0.07 -0.06 -0.06 @@ -4802,9 +4802,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] -1.76 0.00 0.0 0.03 0.00 -0.00 0.03 0.00 0.00 -[35] 0.00 2.08 0.0 0.00 0.06 0.00 0.00 0.01 0.00 -[35] 0.00 0.00 12.9 -0.00 0.00 0.05 0.00 0.00 -0.05 +[35] -1.77 0.00 0.00 0.03 0.00 -0.00 0.04 0.00 0.00 +[35] 0.00 2.08 0.00 0.00 0.07 0.00 0.00 0.02 0.00 +[35] 0.00 0.00 12.98 -0.00 0.00 0.06 0.00 0.00 -0.06 @@ -4915,9 +4915,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 16.80 -4.91 -7.3 0.03 -0.00 -0.00 -0.12 -0.07 0.28 -[35] -4.91 69.40 21.5 -0.00 0.03 0.00 0.44 0.07 -0.26 -[35] -7.37 21.55 66.2 -0.00 0.00 0.05 -0.03 0.08 0.05 +[35] 16.80 -4.92 -7.38 0.03 -0.00 -0.01 -0.12 -0.08 0.29 +[35] -4.92 69.40 21.55 -0.00 0.04 0.00 0.44 0.07 -0.27 +[35] -7.38 21.55 66.20 -0.01 0.00 0.05 -0.04 0.09 0.05 @@ -4942,9 +4942,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.25 -0.15 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 -0.29 0.15 -0.19 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 -0.28 0.24 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.01 -0.07 0.26 -0.16 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 -0.29 0.15 -0.19 +[35] 0.00 0.00 90.43 0.01 -0.01 0.05 -0.28 0.24 -0.08 @@ -4963,9 +4963,9 @@ for Uprime see Acta Cryst (2000). B56, 747-749 L T S -[35] 15.65 0.00 0.0 0.02 -0.00 0.00 -0.07 0.00 0.00 -[35] 0.00 46.32 0.0 -0.00 0.04 -0.00 0.00 0.15 0.00 -[35] 0.00 0.00 90.4 0.00 -0.00 0.04 0.00 0.00 -0.08 +[35] 15.66 0.00 0.00 0.03 -0.00 0.00 -0.07 0.00 0.00 +[35] 0.00 46.33 0.00 -0.00 0.04 -0.01 0.00 0.15 0.00 +[35] 0.00 0.00 90.43 0.00 -0.01 0.05 0.00 0.00 -0.08 @@ -5329,8 +5329,8 @@ AZIMUTH = -73.48 AZIMUTH /100 = -0.7348 Transformation to crystal fractions w.r.t. centroid from best plane co-ordinates in angstrom and fractions -[31] -0.015 -0.115 -0.067 -[31] -0.111 -0.037 -0.026 +[31] -0.015 -0.116 -0.067 +[31] -0.111 -0.038 -0.026 [85] 0.00 0.03 -0.04 0.03 0.50 -0.87 @@ -5473,7 +5473,7 @@ AZIMUTH = -52.16 AZIMUTH /100 = -0.5216 [85] -0.05 0.12 -0.02 -0.46 1.03 -0.18 [85] 0.07 0.09 -0.03 0.69 0.88 -0.24 -[31] -0.004 -0.010 -0.049 +[31] -0.004 -0.010 -0.049 @@ -5546,7 +5546,7 @@ AZIMUTH = 44.42 AZIMUTH /100 = 0.4442 [85] -0.05 0.12 -0.01 -0.46 1.04 -0.09 [85] 0.07 0.09 -0.02 0.69 0.90 -0.17 -[31] -0.004 -0.006 -0.049 +[31] -0.004 -0.006 -0.050 @@ -5852,8 +5852,8 @@ LS-scale= 12.394 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.44E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4.44E-05 +[80a] Block No 1. Single precision relative error: 4E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 4E+02 rel. error: 4E-05 S/ESD 1 1 -1.155 0.0E+00 0.628E+00 -1.84 SCALE [14a] LARGE 2 2 -0.192 0.0E+00 0.70 E-01 -2.7 SI 1 U[11] Composite @@ -5928,15 +5928,15 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [38] Mean -0.60 0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.07 -0.00 -0.00 -0.02 -[31] 0.053 0.014 0.027 +[31] 0.054 0.014 0.027 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.08 0.02 0.11 0.00 0.01 0.03 -[31] 0.067 0.019 0.046 +[31] 0.068 0.019 0.047 [70] Maximum 1. 0.00 0.00 0.01 0.00 0.01 0.19 0.03 0.26 0.01 0.01 0.06 -[31] 0.126 0.025 0.085 +[31] 0.127 0.026 0.086 [03] Reversals @@ -5992,37 +5992,37 @@ All cycle Min function 0.0 0.14E+07 0.10E+16 [37] SI 1. 0.16 0.00 0.00 0.00 0.00 -0.17 [37] 0.00 0.00 0.00 0.00 -0.19 -0.19 -0.26 0.00 0.00 -0.09 [37] 0.00 0.00 0.00 0.00 0.07 0.07 0.13 0.00 0.00 0.03 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 0.33 0.00 0.33 0.66 0.51 -0.04 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.11 0.00 0.00 -0.02 [37] 0.00 0.00 0.00 0.02 0.02 0.02 0.04 0.00 0.00 0.01 -[31] 0.000 0.000 0.107 +[31] 0.000 0.000 0.107 [37] NA 1. 0.50 0.00 0.39 0.39 0.00 0.00 [37] 0.00 0.01 0.01 0.00 -0.02 -0.02 -0.06 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.02 0.02 0.03 -[31] 0.074 0.074 0.000 +[31] 0.075 0.075 0.000 [37] NA 2. 0.50 0.00 0.71 0.71 0.50 -0.03 [37] 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.10 0.00 0.00 -0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.02 0.02 0.02 -[31] 0.071 0.071 0.000 +[31] 0.071 0.071 0.000 [37] F 1. 1.00 0.00 0.09 -0.09 0.80 0.05 [37] 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.03 0.03 0.01 -[31] 0.069 0.068 0.040 +[31] 0.069 0.068 0.040 [37] F 2. 1.00 0.00 0.44 -0.39 0.69 0.02 [37] 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.01 0.02 -[31] 0.045 0.050 0.039 +[31] 0.046 0.050 0.040 [37] F 3. 1.00 0.00 0.23 -0.25 0.32 0.01 [37] 0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 [37] 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.02 0.02 -[31] 0.055 0.058 0.041 +[31] 0.056 0.059 0.042 [84] Mean C-C su = 0.00 The following atoms should be carefully examined [37] SI 1. -0.23 -0.17 -0.17 -0.19 -0.19 -0.12 @@ -7187,21 +7187,21 @@ LS-scale= 1.000 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.34E-06 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1.34E-06 +[80a] Block No 1. Single precision relative error: 1E-06 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 1E+01 rel. error: 1E-06 S/ESD 1 1 0.029 0.0E+00 0.189E-01 1.52 SCALE [13] LARGE 2 2 0.0 0.0E+00 0.4 E-02 1.4 DU[ISO] Inversion method: Automatic -Block No 2. Single precision relative error: 1.72E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.72E-07 +[80a] Block No 2. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 2 Inversion method: Automatic -Block No 3. Single precision relative error: 1.68E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.68E-07 +[80a] Block No 3. Single precision relative error: 2E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 2E-07 Block 3 Inversion method: Automatic -Block No 4. Single precision relative error: 1.47E-07 -[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1.47E-07 +[80a] Block No 4. Single precision relative error: 1E-07 +[80] (sp inverse) 1-norm: 1E+00 cond. number: 1E+00 rel. error: 1E-07 Block 4 [14] S/ESD 11 1 -0.022 0.0E+00 0.36 E-02 -6.3 C 1 X [14] S/ESD 13 3 0.017 0.0E+00 0.40 E-02 4.2 C 1 Z @@ -7245,12 +7245,12 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [89] -0.05 -0.03 0.00 [71] R.M.S. 0. 0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.123 0.052 0.067 +[31] 0.123 0.052 0.067 [70] Maximum 0. 0.00 0.02 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.197 0.071 0.103 +[31] 0.197 0.071 0.103 [03] Reversals @@ -7297,17 +7297,17 @@ All cycle Min function 0.0 0.28E+04 0.10E+16 [37] S 1. 1.00 1.00 0.16 0.02 0.19 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.007 +[31] 0.010 0.009 0.007 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.018 0.015 +[31] 0.019 0.018 0.015 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.03 [73] 0.00 -0.01 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.01 -[31] 0.031 0.029 0.024 +[31] 0.031 0.029 0.024 [84] Mean C-C su = 0.02 #CYCLENDS #SPEC LIS NO @@ -7422,12 +7422,12 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.019 0.014 0.015 +[31] 0.019 0.014 0.015 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.021 0.019 +[31] 0.030 0.021 0.020 [03] Reversals @@ -7474,17 +7474,17 @@ Inter cycle Rw -5.0 5.2 0.10E+03 [37] S 1. 1.00 1.00 0.16 0.02 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.004 +[31] 0.006 0.006 0.005 [37] O 1. 1.00 1.00 0.38 0.18 0.31 0.02 [73] 0.00 -0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.009 +[31] 0.012 0.012 0.010 [37] C 1. 1.00 1.00 0.33 0.09 0.15 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.020 0.018 0.015 +[31] 0.020 0.019 0.016 [84] Mean C-C su = 0.01 #CYCLENDS #PRINT 6 @@ -7731,8 +7731,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.23E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.23E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -7769,15 +7769,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -[31] 0.001 0.003 0.000 +[31] 0.001 0.003 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.000 +[31] 0.002 0.005 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.007 0.001 +[31] 0.003 0.007 0.001 [03] Reversals @@ -7822,22 +7822,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.005 +[31] 0.004 0.004 0.005 [37] B 2. 1.00 0.00 -0.18 -0.11 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.005 +[31] 0.004 0.004 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 5 @@ -7967,8 +7967,8 @@ LS-scale= 1.992 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 9.09E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9.09E-05 +[80a] Block No 1. Single precision relative error: 9E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 8E+02 rel. error: 9E-05 for 37 parameters [64] The rms (shift/su) = 0. @@ -8005,15 +8005,15 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -[31] 0.001 0.000 0.000 +[31] 0.002 0.001 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.001 0.000 +[31] 0.002 0.002 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.001 +[31] 0.004 0.002 0.001 [03] Reversals @@ -8058,22 +8058,22 @@ All cycle Min function 0.0 0.67E+03 0.10E+16 [37] N 1. 1.00 0.00 0.18 0.11 0.00 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.003 0.005 +[31] 0.004 0.003 0.005 [37] B 2. 1.00 0.00 -0.18 -0.12 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.005 +[31] 0.004 0.003 0.005 [37] CL 3. 1.00 0.00 0.40 0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [37] CL 4. 1.00 0.00 -0.40 -0.26 0.00 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.002 0.002 +[31] 0.001 0.002 0.003 [84] Mean C-C su = 0.00 #CYCLENDS #CHECK @@ -8839,124 +8839,14 @@ LS-scale= 1.000 Wilson Scale= 0.000 4 * -4 -8 -9 -7 -4 -1 5 * -9 -7 -1 4 5 3 -# TRIAL ALMOST CERTAINLY DOES NOT WORK -#TRIAL - - - - Structure factors end after 12 reflection(s) - - - - Scale factor 0.184E-01 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 0 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 1 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 2 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 3 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 4 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 5 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 6 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 7 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 8 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 9 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 - - 10 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 - - 11 * 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 - - 12 * 179 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 1 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 1 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 2 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 3 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 4 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 5 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 6 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 7 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 8 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 - - 9 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 - - 10 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 - - 11 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 - - 12 * 230 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 - - - SLANT FOURIER TESTS IN P6122 Date Time - - - Trial map Section 2 Part 1 - - - 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 - * * * * * * * * * * * * * * * * * * * * * * * * * * - - 0 * 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 145 - - 1 * 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 173 - - 2 * 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 164 - - 3 * 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 171 - - 4 * 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 114 - - 5 * 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 149 - - 6 * 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 144 - - 7 * 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 162 - - 8 * 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 100 162 171 161 141 150 107 159 168 - - 9 * 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 107 159 - - 10 * 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 107 - - 11 * 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 150 - - 12 * 221 170 200 130 176 212 198 157 187 109 171 190 178 140 173 94 164 172 164 136 161 99 162 171 161 141 +# \ TRIAL ALMOST CERTAINLY DOES NOT WORK +# \TRIAL +# MAP /FO/-MIN= 45 +# DISPLACEMENT .1 -.2 .3 +# DOWN 13 0 .02 0 +# ACROSS 26 .02 0 0 +# THROUGH 3 0 0 -.1 +# END #END diff --git a/test_suite/MIN64GHGUI.org/tls.out b/test_suite/MIN64GHGUI.org/tls.out index 294510644..df6b23fac 100644 --- a/test_suite/MIN64GHGUI.org/tls.out +++ b/test_suite/MIN64GHGUI.org/tls.out @@ -469,8 +469,8 @@ LS-scale= 1.010 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.41E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.41E-07 +[80a] Block No 1. Single precision relative error: 4E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4E-07 [13] LARGE 1 1 0.9 0.0E+00 0.3 E-01 25.5 SCALE for 34 parameters @@ -511,12 +511,12 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.015 0.019 0.013 +[31] 0.016 0.020 0.014 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.048 0.025 +[31] 0.033 0.049 0.026 [03] Reversals @@ -561,57 +561,57 @@ All cycle Min function 0.0 0.21E+05 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.031 +[31] 0.033 0.031 0.031 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.030 0.029 +[31] 0.034 0.031 0.030 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.022 0.022 +[31] 0.024 0.023 0.022 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.042 0.038 0.039 +[31] 0.042 0.038 0.039 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.021 0.020 0.020 +[31] 0.021 0.021 0.020 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.033 0.031 0.029 +[31] 0.033 0.031 0.029 [37] C 7. 1.00 1.00 0.77 0.11 0.33 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.030 0.029 0.027 +[31] 0.030 0.030 0.027 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.024 0.023 0.022 +[31] 0.024 0.024 0.022 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.032 +[31] 0.035 0.033 0.032 [37] C 10. 1.00 1.00 0.83 -0.09 0.18 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.034 0.032 0.031 +[31] 0.035 0.032 0.032 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.038 0.037 0.036 +[31] 0.038 0.037 0.037 [84] Mean C-C su = 0.03 #CYCLENDS #SPEC LIS NO @@ -693,8 +693,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.69E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 5.69E-07 +[80a] Block No 1. Single precision relative error: 6E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 5E+00 rel. error: 6E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -738,12 +738,12 @@ Inter cycle Rw -5.0 21. 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.005 +[31] 0.009 0.010 0.006 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.023 0.021 0.012 +[31] 0.023 0.021 0.012 [03] Reversals @@ -788,57 +788,57 @@ Inter cycle Rw -5.0 21. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -920,8 +920,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.80E-07 -[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 4.80E-07 +[80a] Block No 1. Single precision relative error: 5E-07 +[80] (sp inverse) 1-norm: 2E+00 cond. number: 4E+00 rel. error: 5E-07 for 34 parameters [64] The rms (shift/su) = 0. @@ -965,12 +965,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.000 0.001 +[31] 0.002 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.001 0.002 +[31] 0.006 0.001 0.003 [03] Reversals @@ -1015,57 +1015,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.009 0.009 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.012 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -1160,8 +1160,8 @@ LS-scale= 1.401 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.90E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.90E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 S/ESD 1 1 0.039 0.0E+00 0.376E-01 1.04 SCALE [14] S/ESD 25 25 -0.016 0.0E+00 0.24 E-02 -6.9 N 6 U[ISO] @@ -1203,12 +1203,12 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.002 0.002 +[31] 0.004 0.002 0.003 [70] Maximum 0. 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.004 0.007 +[31] 0.008 0.004 0.007 [03] Reversals @@ -1253,57 +1253,57 @@ All cycle Min function 0.0 0.85E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.63 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.012 0.012 +[31] 0.014 0.013 0.013 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 -0.00 0.00 -0.01 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.009 +[31] 0.011 0.010 0.010 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.010 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.008 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.011 0.011 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.012 0.012 +[31] 0.013 0.012 0.012 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1385,8 +1385,8 @@ LS-scale= 1.415 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.89E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.89E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1430,12 +1430,12 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.001 +[31] 0.002 0.002 0.002 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.003 +[31] 0.003 0.003 0.004 [03] Reversals @@ -1480,57 +1480,57 @@ Inter cycle Rw -5.0 1.6 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.013 0.011 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 -0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 -0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.011 0.011 +[31] 0.012 0.011 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1612,8 +1612,8 @@ LS-scale= 1.420 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.84E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.84E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1657,12 +1657,12 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.001 0.001 [03] Reversals @@ -1707,57 +1707,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 -0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 -0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #SPEC LIS NO @@ -1839,8 +1839,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 4.85E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 4.85E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 45 parameters [64] The rms (shift/su) = 0. @@ -1877,15 +1877,15 @@ All cycle Rw 0.0 35. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -1930,57 +1930,57 @@ All cycle Rw 0.0 35. 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.010 0.009 0.009 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.009 +[31] 0.011 0.009 0.009 [37] O 3. 1.00 1.00 0.77 0.24 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.008 0.007 0.007 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.013 0.011 0.012 +[31] 0.013 0.012 0.012 [37] O 5. 1.00 1.00 0.66 0.10 0.05 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.008 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.008 0.008 [37] C 7. 1.00 1.00 0.76 0.11 0.33 0.02 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.009 0.008 +[31] 0.010 0.009 0.009 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.008 0.007 0.007 [37] C 9. 1.00 1.00 0.86 0.15 0.42 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.010 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 10. 1.00 1.00 0.82 -0.08 0.18 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.011 0.010 0.010 +[31] 0.011 0.010 0.010 [37] C 11. 1.00 1.00 1.10 -0.04 0.15 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.011 0.011 +[31] 0.012 0.012 0.011 [84] Mean C-C su = 0.01 #CYCLENDS #LIST 12 @@ -2077,8 +2077,8 @@ LS-scale= 1.418 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.78E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.78E-05 +[80a] Block No 1. Single precision relative error: 2E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 2E-05 [13] LARGE 1 1 0.5 0.0E+00 0.4 E-01 12.3 SCALE [13] LARGE 2 2 563.2 0.0E+00 0.2 E+02 19.7 EXTPARAM [14] S/ESD 4 4 0.011 0.0E+00 0.44 E-02 2.5 C 1 U[22] @@ -2132,15 +2132,15 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [38] Mean 281.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 398. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 563. 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.01 0.01 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2185,57 +2185,57 @@ All cycle Min function 0.0 0.77E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -2317,8 +2317,8 @@ LS-scale= 1.604 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 2.51E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 2.51E-05 +[80a] Block No 1. Single precision relative error: 3E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 2E+02 rel. error: 3E-05 [13] LARGE 1 1 0.2 0.5E+00 0.4 E-01 5.4 SCALE [43] Resetting shift for Extinction Shift= 837. Esd= 7 New shift= 112.6 [13] LARGE 2 2 112.6 0.1E+01 0.7 E+02 10.6 EXTPARAM @@ -2363,15 +2363,15 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [38] Mean 56.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 79. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 112. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -2416,57 +2416,57 @@ Inter cycle Rw -5.0 8.0 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 9. 1.00 0.00 0.86 0.15 0.42 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 10. 1.00 0.00 0.82 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [84] Mean C-C su = 0.00 #CYCLENDS #PERH @@ -2971,8 +2971,8 @@ LS-scale= 1.687 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.14E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.14E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 [13] LARGE 1 1 -0.3 0.0E+00 0.3 E-01 -8.8 SCALE [14] S/ESD 22 22 -0.045 0.0E+00 0.40 E-02 -11.3 C 4 U[ISO] @@ -3011,15 +3011,15 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [38] Mean -0.33 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -[31] -0.000 0.004 0.001 +[31] -0.000 0.004 0.001 [71] R.M.S. 0. 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.013 0.008 +[31] 0.009 0.014 0.009 [70] Maximum 0. 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.017 0.029 0.016 +[31] 0.017 0.029 0.017 [03] Reversals @@ -3064,57 +3064,57 @@ All cycle Min function 0.0 0.62E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.02 [73] 0.00 0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.007 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.010 0.007 0.008 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.004 0.005 +[31] 0.007 0.005 0.005 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.04 [73] 0.00 0.00 -0.00 0.00 -0.04 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.016 0.013 0.014 +[31] 0.016 0.013 0.014 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.008 0.006 0.005 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.02 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.006 0.006 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.006 0.007 +[31] 0.008 0.007 0.007 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.03 [73] 0.00 -0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.007 +[31] 0.010 0.008 0.007 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.007 0.008 +[31] 0.009 0.007 0.009 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.009 0.009 +[31] 0.010 0.009 0.010 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3196,8 +3196,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.26E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.26E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3238,15 +3238,15 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [38] Mean 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.000 0.002 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.004 0.002 +[31] 0.002 0.005 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.009 0.005 +[31] 0.003 0.010 0.005 [03] Reversals @@ -3291,57 +3291,57 @@ Inter cycle Rw -5.0 9.1 0.10E+03 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 -0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 -0.00 0.00 -0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.004 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -3423,8 +3423,8 @@ LS-scale= 1.592 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.23E-06 -[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5.23E-06 +[80a] Block No 1. Single precision relative error: 5E-06 +[80] (sp inverse) 1-norm: 5E+00 cond. number: 4E+01 rel. error: 5E-06 for 55 parameters [64] The rms (shift/su) = 0. @@ -3468,12 +3468,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.001 0.000 +[31] 0.001 0.001 0.001 [03] Reversals @@ -3518,57 +3518,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 1.00 0.89 0.04 0.19 0.03 [73] 0.00 -0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 1.00 0.76 0.13 0.12 0.03 [73] 0.00 0.00 0.00 0.00 -0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 1.00 0.64 0.33 0.09 0.05 [73] 0.00 0.00 -0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.008 0.007 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.004 0.004 [37] N 6. 1.00 1.00 0.96 0.09 0.27 0.03 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.006 [37] O 8. 1.00 1.00 0.52 0.10 0.31 0.04 [73] 0.00 0.00 0.00 0.00 0.00 [73] 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.005 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.006 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.09 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.007 +[31] 0.007 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #LIST 12 @@ -3663,8 +3663,8 @@ LS-scale= 1.591 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.25E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.25E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 [14] S/ESD 32 32 0.029 0.0E+00 0.42 E-02 6.9 C 4 U[11] [14] S/ESD 33 33 -0.017 0.0E+00 0.38 E-02 -4.5 C 4 U[22] [14] S/ESD 37 37 0.011 0.0E+00 0.40 E-02 2.7 C 4 U[12] @@ -3709,12 +3709,12 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.002 +[31] 0.003 0.002 0.003 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.00 0.00 0.01 -[31] 0.004 0.003 0.007 +[31] 0.004 0.003 0.007 [03] Reversals @@ -3759,57 +3759,57 @@ All cycle Min function 0.0 0.30E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.006 0.006 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.005 0.005 +[31] 0.007 0.006 0.006 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.05 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.004 +[31] 0.006 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.07 [37] 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.007 0.007 +[31] 0.009 0.007 0.008 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.004 0.004 +[31] 0.006 0.005 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.005 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.007 0.006 0.006 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.005 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.006 +[31] 0.007 0.006 0.006 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.006 0.007 +[31] 0.007 0.006 0.007 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.008 +[31] 0.008 0.007 0.008 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -3892,8 +3892,8 @@ LS-scale= 1.583 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.29E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.29E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -3933,12 +3933,12 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.001 0.001 0.000 +[31] 0.001 0.001 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.001 +[31] 0.002 0.003 0.002 [03] Reversals @@ -3983,57 +3983,57 @@ All cycle Min function 0.0 0.25E+04 0.10E+16 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.008 0.005 0.006 +[31] 0.009 0.006 0.006 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.005 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4116,8 +4116,8 @@ LS-scale= 1.587 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4154,15 +4154,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4207,57 +4207,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #SFLS @@ -4340,8 +4340,8 @@ LS-scale= 1.586 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 1.27E-05 -[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1.27E-05 +[80a] Block No 1. Single precision relative error: 1E-05 +[80] (sp inverse) 1-norm: 9E+00 cond. number: 1E+02 rel. error: 1E-05 for 100 parameters [64] The rms (shift/su) = 0. @@ -4378,15 +4378,15 @@ All cycle Rw 0.0 20. 0.10E+03 [38] Mean 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [03] Reversals @@ -4431,57 +4431,57 @@ All cycle Rw 0.0 20. 0.10E+03 [37] C 1. 1.00 0.00 0.89 0.04 0.19 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.005 0.005 0.005 [37] C 2. 1.00 0.00 0.76 0.13 0.12 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 3. 1.00 0.00 0.77 0.24 0.15 0.06 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.003 0.003 +[31] 0.005 0.004 0.004 [37] C 4. 1.00 0.00 0.64 0.33 0.09 0.08 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.005 0.006 +[31] 0.009 0.006 0.007 [37] O 5. 1.00 0.00 0.66 0.10 0.05 0.07 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.003 +[31] 0.005 0.004 0.004 [37] N 6. 1.00 0.00 0.96 0.09 0.27 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.004 +[31] 0.005 0.005 0.004 [37] C 7. 1.00 0.00 0.76 0.11 0.33 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.005 0.005 +[31] 0.006 0.005 0.005 [37] O 8. 1.00 0.00 0.52 0.10 0.31 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.004 0.004 +[31] 0.004 0.005 0.004 [37] C 9. 1.00 0.00 0.85 0.15 0.42 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.005 +[31] 0.007 0.005 0.005 [37] C 10. 1.00 0.00 0.83 -0.08 0.18 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.005 0.006 +[31] 0.006 0.006 0.006 [37] C 11. 1.00 0.00 1.10 -0.04 0.15 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.006 +[31] 0.006 0.007 0.007 [84] Mean C-C su = 0.00 #CYCLENDS #ANISO @@ -4505,9 +4505,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 14.35 -20.88 7.8 0.03 -0.00 0.00 -0.02 0.09 0.02 -[35] -20.88 55.18 -12.7 -0.00 0.03 -0.00 -0.29 0.08 -0.12 -[35] 7.83 -12.75 22.1 0.00 -0.00 0.03 -0.16 0.07 -0.06 +[35] 14.35 -20.89 7.84 0.03 -0.00 0.00 -0.03 0.10 0.03 +[35] -20.89 55.19 -12.75 -0.00 0.03 -0.00 -0.30 0.09 -0.12 +[35] 7.84 -12.75 22.13 0.00 -0.00 0.03 -0.16 0.07 -0.06 @@ -4532,9 +4532,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.03 0.00 0.00 -0.05 -0.02 0.13 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.18 -0.06 -0.21 -[35] 0.00 0.00 68.6 0.00 0.00 0.03 -0.16 0.09 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 -0.03 0.13 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.18 -0.07 -0.22 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 -0.16 0.10 0.12 @@ -4553,9 +4553,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 5.17 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 17.81 0.0 0.00 0.02 0.00 0.00 -0.06 0.00 -[35] 0.00 0.00 68.6 0.00 0.00 0.02 0.00 0.00 0.12 +[35] 5.17 0.00 0.00 0.03 0.00 0.00 -0.06 0.00 0.00 +[35] 0.00 17.81 0.00 0.00 0.03 0.00 0.00 -0.07 0.00 +[35] 0.00 0.00 68.69 0.00 0.00 0.03 0.00 0.00 0.12 @@ -4740,9 +4740,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.96 0.39 -3.9 0.02 0.00 -0.00 0.00 -0.00 -0.15 -[35] 0.39 11.22 5.8 0.00 0.03 0.00 0.07 0.10 -0.10 -[35] -3.92 5.88 19.0 -0.00 0.00 0.03 0.14 0.39 -0.10 +[35] 4.97 0.39 -3.92 0.02 0.00 -0.00 0.00 -0.01 -0.15 +[35] 0.39 11.22 5.88 0.00 0.03 0.00 0.08 0.11 -0.11 +[35] -3.92 5.88 19.07 -0.00 0.00 0.03 0.14 0.40 -0.11 @@ -4767,9 +4767,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 -0.00 0.00 -0.05 0.13 -0.08 -[35] 0.00 9.05 0.0 -0.00 0.03 -0.00 -0.00 0.00 -0.12 -[35] 0.00 0.00 22.8 0.00 -0.00 0.03 -0.01 0.44 0.04 +[35] 3.37 0.00 0.00 0.02 -0.00 0.00 -0.05 0.14 -0.09 +[35] 0.00 9.06 0.00 -0.00 0.03 -0.00 -0.01 0.01 -0.13 +[35] 0.00 0.00 22.83 0.00 -0.00 0.03 -0.01 0.44 0.04 @@ -4788,9 +4788,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.37 0.00 0.0 0.02 0.00 0.00 -0.05 0.00 0.00 -[35] 0.00 9.05 0.0 0.00 0.01 0.00 0.00 0.00 0.00 -[35] 0.00 0.00 22.8 0.00 0.00 0.02 0.00 0.00 0.04 +[35] 3.37 0.00 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 +[35] 0.00 9.06 0.00 0.00 0.02 0.00 0.00 0.01 0.00 +[35] 0.00 0.00 22.83 0.00 0.00 0.03 0.00 0.00 0.04 @@ -4972,9 +4972,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.47 0.60 -1.2 0.02 0.00 0.00 0.02 0.06 -0.08 -[35] 0.60 11.29 6.5 0.00 0.02 -0.00 -0.05 0.01 -0.03 -[35] -1.29 6.59 15.0 0.00 -0.00 0.03 0.02 0.18 -0.04 +[35] 4.48 0.61 -1.30 0.02 0.00 0.00 0.02 0.06 -0.08 +[35] 0.61 11.30 6.60 0.00 0.03 -0.00 -0.06 0.02 -0.03 +[35] -1.30 6.60 15.03 0.00 -0.00 0.03 0.02 0.18 -0.04 @@ -4999,9 +4999,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.13 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 -0.03 -0.03 -0.06 -[35] 0.00 0.00 20.0 0.00 -0.00 0.03 -0.08 0.13 0.05 +[35] 3.81 0.00 0.00 0.03 -0.00 0.00 -0.01 0.13 0.00 +[35] 0.00 6.95 0.00 -0.00 0.03 -0.00 -0.03 -0.04 -0.06 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 -0.08 0.13 0.05 @@ -5020,9 +5020,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.80 0.00 0.0 0.02 -0.00 0.00 -0.01 0.00 0.00 -[35] 0.00 6.94 0.0 -0.00 0.02 -0.00 0.00 -0.03 0.00 -[35] 0.00 0.00 20.0 0.00 -0.00 0.02 0.00 0.00 0.05 +[35] 3.81 0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 +[35] 0.00 6.95 0.00 -0.00 0.02 -0.00 0.00 -0.04 0.00 +[35] 0.00 0.00 20.05 0.00 -0.00 0.03 0.00 0.00 0.05 @@ -5207,9 +5207,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 4.18 0.61 1.7 0.02 0.00 -0.00 0.04 0.03 -0.06 -[35] 0.61 12.54 0.0 0.00 0.02 -0.00 -0.20 -0.00 0.04 -[35] 1.75 0.03 15.1 -0.00 -0.00 0.03 -0.15 0.02 -0.03 +[35] 4.19 0.61 1.75 0.03 0.00 -0.00 0.04 0.04 -0.07 +[35] 0.61 12.54 0.04 0.00 0.03 -0.00 -0.20 -0.01 0.04 +[35] 1.75 0.04 15.15 -0.00 -0.00 0.03 -0.15 0.03 -0.03 @@ -5234,9 +5234,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 0.00 -0.00 0.08 0.04 -0.05 -[35] 0.00 12.57 0.0 0.00 0.02 -0.00 -0.19 -0.02 0.01 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 -0.14 0.02 -0.06 +[35] 3.87 0.00 0.00 0.03 0.00 -0.00 0.09 0.04 -0.05 +[35] 0.00 12.58 0.00 0.00 0.03 -0.00 -0.20 -0.02 0.01 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 -0.15 0.03 -0.06 @@ -5255,9 +5255,9 @@ All cycle Rw 0.0 20. 0.10E+03 L T S -[35] 3.87 0.00 0.0 0.02 -0.00 -0.00 0.08 0.00 0.00 -[35] 0.00 12.57 0.0 -0.00 0.02 -0.00 0.00 -0.02 0.00 -[35] 0.00 0.00 15.4 -0.00 -0.00 0.03 0.00 0.00 -0.06 +[35] 3.87 0.00 0.00 0.02 -0.00 -0.00 0.09 0.00 0.00 +[35] 0.00 12.58 0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 +[35] 0.00 0.00 15.43 -0.00 -0.00 0.03 0.00 0.00 -0.06 diff --git a/test_suite/MIN64GHGUI.org/twin2.out b/test_suite/MIN64GHGUI.org/twin2.out index a441f28e7..f9926cebb 100644 --- a/test_suite/MIN64GHGUI.org/twin2.out +++ b/test_suite/MIN64GHGUI.org/twin2.out @@ -202,8 +202,8 @@ LS-scale= 10.008 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.55E-05 -[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 5.55E-05 +[80a] Block No 1. Single precision relative error: 6E-05 +[80] (sp inverse) 1-norm: 8E+00 cond. number: 5E+02 rel. error: 6E-05 S/ESD 1 1 -0.094 0.0E+00 0.485E-01 -1.95 SCALE Composite @@ -274,12 +274,12 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.012 0.006 0.009 +[31] 0.012 0.006 0.010 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.018 0.009 0.017 +[31] 0.018 0.009 0.017 [03] Reversals @@ -335,37 +335,37 @@ All cycle Min function 0.0 0.14E+05 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.004 +[31] 0.000 0.000 0.005 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.005 0.005 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.000 +[31] 0.004 0.004 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.008 0.005 +[31] 0.009 0.009 0.005 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.005 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.007 0.007 0.005 +[31] 0.008 0.008 0.006 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC NO NO @@ -1240,8 +1240,8 @@ LS-scale= 9.913 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.17E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.17E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 S/ESD 1 1 -0.069 0.7E+00 0.517E-01 -1.33 SCALE Composite @@ -1290,12 +1290,12 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.001 +[31] 0.005 0.004 0.001 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.009 0.006 0.002 +[31] 0.009 0.006 0.002 [03] Reversals @@ -1351,37 +1351,37 @@ All cycle Min function 0.0 0.29E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.003 0.003 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.004 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.006 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #SPEC LIS NO @@ -1470,8 +1470,8 @@ LS-scale= 9.844 Wilson Scale= 0.000 Parameters marked COMPOSITE contain derivatives from other physical parameters Inversion method: Automatic -Block No 1. Single precision relative error: 5.35E-05 -[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5.35E-05 +[80a] Block No 1. Single precision relative error: 5E-05 +[80] (sp inverse) 1-norm: 7E+00 cond. number: 4E+02 rel. error: 5E-05 for 44 parameters [64] The rms (shift/su) = 0. @@ -1515,12 +1515,12 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [89] 0.00 0.00 0.00 [71] R.M.S. 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [70] Maximum 0. 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.001 0.001 0.000 [03] Reversals @@ -1576,37 +1576,37 @@ All cycle Min function 0.0 0.27E+03 0.10E+16 [37] SI 1. 1.00 0.00 0.00 0.00 0.00 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.000 +[31] 0.000 0.000 0.000 [37] SI 2. 1.00 0.00 0.33 0.66 0.50 0.01 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.000 0.000 0.003 +[31] 0.000 0.000 0.004 [37] NA 1. 1.00 0.00 0.38 0.38 0.00 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] NA 2. 1.00 0.00 0.71 0.71 0.50 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.002 0.002 0.000 +[31] 0.003 0.003 0.000 [37] F 1. 1.00 0.00 0.08 -0.09 0.80 0.04 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.006 0.006 0.004 +[31] 0.006 0.006 0.004 [37] F 2. 1.00 0.00 0.44 -0.40 0.70 0.02 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.004 0.004 0.003 +[31] 0.004 0.004 0.003 [37] F 3. 1.00 0.00 0.22 -0.26 0.31 0.03 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 [37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -[31] 0.005 0.004 0.004 +[31] 0.005 0.005 0.004 [84] Mean C-C su = 0.00 #CYCLENDS #FINI diff --git a/test_suite/cif.tst b/test_suite/cif.tst index e032a64df..94c9f637a 100644 --- a/test_suite/cif.tst +++ b/test_suite/cif.tst @@ -170,6 +170,9 @@ END #EDIT TRANSFORM 1 0 0 0 1 0 0 0 1 H(1,3,1,2,-1) END +\ For non-gui versions bonding is not always updated. +#BONDCALC FORCE +END \LIST 12 BLOCK SCALE diff --git a/test_suite/shapering.tst b/test_suite/shapering.tst index d8d88e959..40f8b7496 100644 --- a/test_suite/shapering.tst +++ b/test_suite/shapering.tst @@ -50,7 +50,7 @@ R R R END -\USE shapering3.in +\USE shapering1.in \USE shapering.ref # FSQ, ANOM \use shapering.in diff --git a/test_suite/test3.tst b/test_suite/test3.tst index b538a3843..dc59c87dd 100644 --- a/test_suite/test3.tst +++ b/test_suite/test3.tst @@ -2686,12 +2686,12 @@ CENTROID 0 0 0 DOWN 0 6 0.04 ACROSS 0 6 0.04 END -\ TRIAL almost certainly does not work -\TRIAL -MAP /FO/-MIN= 45 -DISPLACEMENT .1 -.2 .3 -DOWN 13 0 .02 0 -ACROSS 26 .02 0 0 -THROUGH 3 0 0 -.1 -END +\ \ TRIAL almost certainly does not work +\ \TRIAL +\ MAP /FO/-MIN= 45 +\ DISPLACEMENT .1 -.2 .3 +\ DOWN 13 0 .02 0 +\ ACROSS 26 .02 0 0 +\ THROUGH 3 0 0 -.1 +\ END \END diff --git a/test_suite/testsuite.pl b/test_suite/testsuite.pl index 4af5b4434..0c9963223 100755 --- a/test_suite/testsuite.pl +++ b/test_suite/testsuite.pl @@ -281,8 +281,9 @@ () } elsif($line =~ m/^((?:\s+-?\d{1,2}){3}\s+-?\d+\.\d\s+-?\d+\.\d\s+-?\d+\.)\d(\s+-?\d+\.)\d+((?:\s+-?\d{1,2}){3}\s+-?\d+\.\d\s+-?\d+\.\d\s+-?\d+\.)\d(\s+-?\d+\.)\d+\s*/ ) { print $fho "[28] - not suitable for comparison, sort order based on small differences\n"; # " -2 1 2 38.92 5904.6 1166.6 121.7" - } elsif($line =~ m/^((?:\s+-?\d{1,2}){3}\s+\d+\.\d\d\s+\d+\.\d\s+\d+\.)\d(\s+\d+\.\d)\s*/ ) { - print $fho "[94] $1 $2\n"; + } elsif($line =~ m/^((?:\s+-?\d{1,2}){3}\s+\d+\.\d\d\s+\d+\.\d\s+)(\d+\.\d)(\s+\d+\.\d)\s*/ ) { + $spone = sprintf "%.0f", $2; + print $fho "[94] $1 $spone $3\n"; # Mean shift line # } elsif($line =~ m/^ Mean\s+\d+\.\d\d\s+.*/ ) { @@ -297,8 +298,11 @@ () } elsif($line =~ m/^( Minimisation function\s+\d+\.\d\d)\d(E\S\d\d\s+\d+\.\d)\d\d(E\S\d\d\s+\d+\.\d\d)\d(E\S\d\d.*)/ ) { print $fho "[30] $1$2$3$4\n"; # Shift max " 0.0762 0.0487 0.0794" - } elsif($line =~ m/^( \s*-*\d\.\d\d\d)\d( -*\d\.\d\d\d)\d( -*\d.\d\d\d)\d(\s*)/ ) { - print $fho "[31] $1 $2 $3 $4\n"; + } elsif($line =~ m/^( \s*-*\d\.\d\d\d\d)( -*\d\.\d\d\d\d)( -*\d.\d\d\d\d)(\s*)/ ) { + $spone = sprintf "%.3f", $1; + $sptwo = sprintf "%.3f", $2; + $spthree = sprintf "%.3f", $3; + print $fho "[31] $spone $sptwo $spthree $4\n"; # print("Line edited (rule 31): $line \n"); # Min funcs " 211786. 195909. 21729. 0.3664E+06 On scale of /FO/" } elsif($line =~ m/^(\s+\d+)\d\.(\s+\d+)\d\.(\s+\d+)\d\.(\s+0\.\d\d)\d\d(E.\d\d\s+On scale of \/FO\/\s*)/ ) { @@ -317,8 +321,17 @@ () } elsif($line =~ m/^(\s+\d+\.\d)\d\d(\s+-?\d+\.\d\d\d)\d(\s+-?\d+\.\d\d\d)\d(\s+-?\d+\.\d\d\d)\d\s*/ ) { print $fho "[34] $1 $2 $3 $4\n"; # TLS matrices - } elsif($line =~ m/^(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d)\d\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d\s*/) { #3rd element only captures 1dp in this version (cf. next version below). - print $fho "[35] $1 $2 $3 $4 $5 $6 $7 $8 $9\n"; + } elsif($line =~ m/^(\s+-?\d+\.\d\d\d)(\s+-?\d+\.\d\d\d)(\s+-?\d+\.\d\d\d)(\s+-?\d+\.\d\d\d)(\s+-?\d+\.\d\d\d)(\s+-?\d+\.\d\d\d)(\s+-?\d+\.\d\d\d)(\s+-?\d+\.\d\d\d)(\s+-?\d+\.\d\d\d)\s*/) { #3rd element only captures 1dp in this version (cf. next version below). + $sp1 = sprintf "%.2f", $1; + $sp2 = sprintf "%.2f", $2; + $sp3 = sprintf "%.2f", $3; + $sp4 = sprintf "%.2f", $4; + $sp5 = sprintf "%.2f", $5; + $sp6 = sprintf "%.2f", $6; + $sp7 = sprintf "%.2f", $7; + $sp8 = sprintf "%.2f", $8; + $sp9 = sprintf "%.2f", $9; + print $fho "[35] $sp1 $sp2 $sp3 $sp4 $sp5 $sp6 $sp7 $sp8 $sp9\n"; # print("Line edited (rule 35) $line \n"); } elsif($line =~ m/^(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d\s*/) { print $fho "[36] $1 $2 $3 $4 $5 $6 $7 $8 $9\n"; @@ -462,13 +475,13 @@ () } elsif($line =~ m/^(.*The minimum and maximum map densities are\s+-?\d+\.\d\d)\d(\s+-?\d+\.\d\d)\d(.*)$/ ) { print $fho "[68] $1 $2 $3\n"; # 1 1 0 0 0 5.70E-02 5.70E-02 -3.22E-05 1.000 U33_local - == 0 - # ( 1 )( 2 )( 3 )(4 )( 5 )( 6 )(7 ) + # ( 1 )( 2 )( 3 )(4 )( 5 )( 6 )(7 ) (8 ) (9 ) } elsif($line =~ m/^(\s+1\s+1\s+0\s+0\s+0\s+)(-?\d+\.\d+)(E.\d+\s+)(-?\d+\.\d+)(E.\d+\s+)(-?\d+\.\d+)(E.\d+\s+)(\d+\.\d+)(.*)$/ ) { # 1 2 3 4 5 6 7 8 9 $sptwo = sprintf "%.0f", $2; $spfour = sprintf "%.0f", $4; $spsix = sprintf "%.0f", $6; - $speight = sprintf "%.2f", $8; + $speight = sprintf "%.1f", $8; print $fho "[79] $1$sptwo$3$spfour$5$spsix$7$speight$9\n"; # There is an alternative to [79] with no final leverage number ($8). @@ -481,14 +494,16 @@ () # } elsif($line =~ m/^(\s+1\s+1\s+0\s+0\s+0\s+-?\d+\.\d)\d(E.\d\d\s+-?\d+\.\d)\d(E.\d\d\s+-?\d+\.\d)\d(.*)$/ ) { # print $fho "[78] $1$2$3$4\n"; - - # (sp inverse) 1-norm: 1.85E+00 cond. number: 1.28E+01 rel. error: 1.52E-06 - } elsif($line =~ m/^(.*norm:\s+)(-?\d+\.\d+)(.*cond\. number:\s+)(-?\d+\.\d+)(.*)$/ ) { #$2 and $4 hold float parts + } elsif($line =~ m/^(.*norm:\s+)(-?\d+\.\d+)(.*cond\. number:\s+)(-?\d+\.\d+)(.*error:\s+)(-?\d+\.\d+)(.*)$/ ) { #$2 and $4 hold float parts $sptwo = sprintf "%.0f", $2; $spfour = sprintf "%.0f", $4; - print $fho "[80] $1$sptwo$3$spfour$5\n"; - + $spsix = sprintf "%.0f", $6; + print $fho "[80] $1$sptwo$3$spfour$5$spsix$7\n"; + #Block No 1. Single precision relative error: 4.41E-05 + } elsif($line =~ m/^(.*Block No.*)(-?\d+\.\d+)(E.*)$/ ) { + $sptwo = sprintf "%.0f", $2; + print $fho "[80a] $1$sptwo$3\n"; #C11 . C1 . C2 . O3 . -131.8(12) yes } elsif($line =~ m/^(.*\w* \. \w* \. \w* \. \w* \.\s+-?\d+\.).*(\(.*)$/ ) { print $fho "[81] $1$2\n"; @@ -525,7 +540,7 @@ () print $fho "[91] $1$2\n"; #Symmetry related peaks on the cusp of peak collection algorithm switch cause differences. Remove sym and coords. #C 11. Q 2. 1 1 1 -1 0 0.389 Deleted 0.095 0.991 0.152 4.1 - } elsif($line =~ m/^(.*Q\s+\d+\.\s*)-?\d+\s+-?\d+\s+-?\d+\s+-?\d+\s+-?\d+(.*Deleted).*(\d+\.\d+)$/ ) { + } elsif($line =~ m/^(.......*Q\s+\d+\.\s*)-?\d+\s+-?\d+\s+-?\d+\s+-?\d+\s+-?\d+(.*Deleted).*(\d+\.\d+)\s*$/ ) { print $fho "[91] $1$2 $3\n"; # Reduced Chisq= 1.4438 @@ -538,7 +553,7 @@ () } elsif($line =~ m/^(.*Minimum signal.*\d+\.\d\d)\d+\s*$/ ) { print $fho "[93] $1\n"; # 0 158 146 12 1.1491 0.000 - } elsif($line =~ m/^(\s*\d+\s+\d+\s+\d+\s+\d+\s+\d+\.\d\d)\d\d(\s+-?\d+\.\d\d)\d\ *$/ ) { + } elsif($line =~ m/^(\s*\d+\s+\d+\s+\d+\s+\d+\s+\d+\.\d\d)\d\d(\s+-?\d+\.\d\d)\d\s*$/) { print $fho "[92] $1 $2\n"; # 7.421 * X + -7.131 * Y + 5.978 * Z = -0.527